SCHEMBL8026397

SCHEMBL8026397

CCCCCCCCc1ccc2c(S(=O)(=O)[O-])c(CCCCCCCC)ccc2c1.[Na+]

nearest known ligand 0.43

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
CA2 known ✓ P00918 1/20 0.41
FUT7 Q11130 1/20 0.43
TLR8 Q9NR97 6/20 0.40
NR1I2 O75469 1/20 0.39
KAT8 Q9H7Z6 2/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.37
HIF1A Q16665 1/20 0.37
GPR3 P46089 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 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
SCHEMBL8026070 1.00 FUT7 (0.43) FUT7CA2TLR8NR1I2KAT8
SCHEMBL27995540 0.86 KAT8 (0.41) TLR8KAT8S1PR1S1PR3PPARA
SCHEMBL8026398 0.85 TLR8 (0.40) TLR8KAT8S1PR1S1PR3PPARA
SCHEMBL8026073 0.85 TLR8 (0.40) TLR8KAT8S1PR1S1PR3PPARA
SCHEMBL1720960 0.83 SLC2A1 (0.42) LMNACYP2D6CYP2C19HTTKCNH2
SCHEMBL383821 0.83 SLC2A1 (0.42) LMNACYP2D6CYP2C19HTTKCNH2
SCHEMBL7782536 0.83 SLC2A1 (0.42) LMNACYP2D6CYP2C19HTTKCNH2
SCHEMBL7782546 0.83 SLC2A1 (0.42) LMNACYP2D6CYP2C19HTTKCNH2
SCHEMBL7781797 0.83 SLC2A1 (0.42) LMNACYP2D6CYP2C19HTTKCNH2
SCHEMBL5669839 0.83 SLC2A1 (0.42) LMNACYP2D6CYP2C19HTTKCNH2

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-0719851-B1 Lubricating oil composition ASAHI DENKA KOGYO KK (JP) 2000-02-23 EP disclosed
US-5627146-A A MOLYBDENUM DITHIOCARBAMATE, IMPROVED STABILITY AND SOLUBILITY ASAHI DENKA KOGYO K.K. (JP) 1997-05-06 US disclosed
EP-0719851-A2 Lubricating oil composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1996-07-03 EP disclosed