SCHEMBL4434540

SCHEMBL4434540

O=S(=O)([O-])CCCCOCCCc1ccccc1.[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 6)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.41
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
LMNA P02545 1/20 0.42

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
SCHEMBL4444788 0.97 MGLL (0.43) MEN1KMT2ACA2
SCHEMBL4438964 0.94 CA1 (0.45) CA2
SCHEMBL4435885 0.85 MGLL (0.48) HRH3CA2
SCHEMBL11091813 0.84 CA2 (0.51) MEN1KMT2ACA2
SCHEMBL28294568 0.84 CA2 (0.55) CA2
SCHEMBL14114294 0.82 LMNA (0.47) MEN1KMT2AIDO1HRH3LMNA
SCHEMBL10973386 0.81 CA2 (0.51) MEN1KMT2ACA2
SCHEMBL4434541 0.81 LMNA (0.46) MEN1KMT2AIDO1HRH3LMNA
SCHEMBL14114297 0.79 FFAR1 (0.45) MEN1KMT2ALMNA
SCHEMBL1009169 0.78 TSHR (0.50) LMNACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2122020-A1 WETTABLE POLYESTER FIBERS AND FABRICS Ciba Holding Inc. (CH) 2009-11-25 EP disclosed
WO-2008090060-A1 WETTABLE POLYESTER FIBERS AND FABRICS CIBA HOLDING INC. (CH) 2008-07-31 WO disclosed
US-20080176475-A1 Wettable polyester fibers and fabrics CIBA CORP. 2008-07-24 US disclosed