SCHEMBL6387902

SCHEMBL6387902

CCCCCCCCCCCCC=CS(=O)(=O)[O-].CCCCCCCCCCCCC=CS(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.48

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 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
EPHX2 P34913 2/20 0.47
PPARA Q07869 2/20 0.46
FABP3 P05413 5/20 0.46
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL28502572 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3
SCHEMBL3850070 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3
SCHEMBL29086469 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3
SCHEMBL10589258 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3
SCHEMBL2385059 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3
SCHEMBL8335717 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3
SCHEMBL18300982 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3
SCHEMBL18298141 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3
SCHEMBL1963109 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3
SCHEMBL2385093 1.00 FAAH (0.48) FAAHTRPV1EPHX2PPARAFABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005074868-A1 HAIR COSMETIC MATERIAL MITSUBISHI CHEMICAL CORPORATION (JP) 2005-08-18 WO disclosed