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SCHEMBL38995

SCHEMBL38995

COC(=O)CCc1ccccc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 known ✓ O43570 3/20 0.43
▸ CA1 known ✓ P00915 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.56
▸ CA7 P43166 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAD51 Q06609 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MMP2 P08253 2/20 0.39
▸ MMP8 P22894 2/20 0.39
▸ MMP12 P39900 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MMP14 P50281 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9444064 0.83 ALDH1A1 (0.47) TDP1RAD51ALDH1A1CYP4F2CYP4A11
SCHEMBL10438855 0.80 CYP4F2 (0.58) TDP1CA12CA7CA14CA9
SCHEMBL8582152 0.76 TDP1 (0.57) TDP1CA12CA7CA14CA9
SCHEMBL5267610 0.75 P2RY4 (0.39) CA12CA9RAD51LMNA
SCHEMBL10865908 0.75 RAD51 (0.40) TDP1CA12CA7CA14CA9
SCHEMBL18802064 0.75 CYP4F2 (0.57) TDP1CA12CA7CA14CA9
SCHEMBL3665652 0.74 LIPG (0.50) TDP1CA12CA7CA14CA9
SCHEMBL8582970 0.74 TDP1 (0.55) TDP1CA12CA7CA14CA9
SCHEMBL8914213 0.74 CYP4F2 (0.51) TDP1TSHRALDH1A1CYP4F2CYP4A11
SCHEMBL22954711 0.74 CYP4F2 (0.56) TDP1CA12CA7CA14CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448997-B1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2018-10-03 — — EP claimed
EP-2576658-B1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS S A (FR) 2018-07-11 — — EP claimed
US-9732222-B2 Modified polyamide composition RHODIA OPERATIONS (FR) 2017-08-15 — — US claimed
US-20130150524-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2013-06-13 — — US claimed
EP-2576658-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES Rhodia Operations S.A. (FR) 2013-04-10 — — EP claimed
US-20120172521-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2012-07-05 — — US claimed
EP-2448997-A1 MODIFIED POLYAMIDE COMPOSITION Rhodia Opérations (FR) 2012-05-09 — — EP claimed
WO-2011147739-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2011-12-01 — — WO claimed
WO-2011000763-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2011-01-06 — — WO claimed
EP-2448997-B1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2018-10-03 — — EP disclosed
EP-2576658-B1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS S A (FR) 2018-07-11 — — EP disclosed
EP-2448998-B1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE RHODIA OPERATIONS (FR) 2018-04-25 — — EP disclosed
US-9732222-B2 Modified polyamide composition RHODIA OPERATIONS (FR) 2017-08-15 — — US disclosed
US-8952122-B2 Modified polyamide, preparation method thereof and article obtained from said polyamide RHODIA OPERATIONS (FR) 2015-02-10 — — US disclosed
CN-102471486-A Modified polyamide, method for preparing same and article obtained from said polyamide RHODIA OPERATIONS 2012-05-23 — — CN disclosed
EP-2448998-A1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE Rhodia Opérations (FR) 2012-05-09 — — EP disclosed
EP-2448997-A1 MODIFIED POLYAMIDE COMPOSITION Rhodia Opérations (FR) 2012-05-09 — — EP disclosed
WO-2011147739-A1 SULFONATE-MODIFIED POLYAMIDE HAVING IMPROVED BARRIER PROPERTIES RHODIA OPERATIONS (FR) 2011-12-01 — — WO disclosed
WO-2011000763-A1 MODIFIED POLYAMIDE COMPOSITION RHODIA OPERATIONS (FR) 2011-01-06 — — WO disclosed
WO-2011000764-A1 MODIFIED POLYAMIDE, PREPARATION METHOD THEREOF AND ARTICLE OBTAINED FROM SAID POLYAMIDE RHODIA OPERATIONS (FR) 2011-01-06 — — WO disclosed
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