SCHEMBL5400565

SCHEMBL5400565

CCCCCCCCC(CCCS(=O)(=O)[O-])c1ccccc1.[Na+]

nearest known ligand 0.57

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 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 known ✓ Q9Y271 1/20 0.37
NR1I2 O75469 1/20 0.57
ASAH1 Q13510 1/20 0.39
NAAA Q02083 2/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
HTR2A P28223 1/20 0.36
CTRC Q99895 1/20 0.36

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
SCHEMBL5400571 0.82 NR1I2 (0.47) NR1I2ASAH1NAAACYSLTR2CYSLTR1
SCHEMBL20291563 0.82 NR1I2 (0.49) NR1I2ASAH1NAAACYSLTR2CYSLTR1
SCHEMBL11369217 0.82 NR1I2 (0.49) NR1I2ASAH1NAAACYSLTR2CYSLTR1
SCHEMBL7534046 0.82 NR1I2 (0.49) NR1I2ASAH1NAAACYSLTR2CYSLTR1
SCHEMBL6681486 0.82 NR1I2 (0.49) NR1I2ASAH1NAAACYSLTR2CYSLTR1
SCHEMBL23849703 0.82 NR1I2 (0.49) NR1I2ASAH1NAAACYSLTR2CYSLTR1
SCHEMBL21633712 0.82 NR1I2 (0.49) NR1I2ASAH1NAAACYSLTR2CYSLTR1
SCHEMBL21633686 0.82 NR1I2 (0.49) NR1I2ASAH1NAAACYSLTR2CYSLTR1
SCHEMBL21633771 0.82 NR1I2 (0.49) NR1I2ASAH1NAAACYSLTR2CYSLTR1
SCHEMBL6680917 0.82 NR1I2 (0.49) NR1I2ASAH1NAAACYSLTR2CYSLTR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7261159-B2 Perforating method SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2007-08-28 US claimed
US-20060278392-A1 Perforating Method SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2006-12-14 US claimed
US-7261159-B2 Perforating method SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2007-08-28 US disclosed
US-20060278392-A1 Perforating Method SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2006-12-14 US disclosed