SCHEMBL8744478

SCHEMBL8744478

Cc1ccc(S(=O)(=O)OC2CCCCC2OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 1/20 0.50
ENPP3 O14638 2/20 0.49
ENPP1 P22413 2/20 0.49
ENPP2 Q13822 2/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
ACHE P22303 1/20 0.45
GAA P10253 1/20 0.43
POLB P06746 2/20 0.43
HTR6 P50406 1/20 0.43
ADORA3 P0DMS8 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
SCHEMBL8744470 1.00 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL8744474 1.00 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL14779900 0.96 CYP2D6 (0.60) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL12810140 0.93 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5222520 0.93 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5222510 0.93 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL2632637 0.93 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5222514 0.93 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL14780218 0.92 CYP2D6 (0.64) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3
SCHEMBL5224786 0.90 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C19ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847568-B1 THERMOSETTING RESIN COMPOSITION, THERMOSETTING-RESIN MOLDING MATERIAL, AND CURED OBJECT OBTAINED THEREFROM SUMITOMO BAKELITE CO (JP) 2015-05-20 EP claimed
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-1847568-B1 THERMOSETTING RESIN COMPOSITION, THERMOSETTING-RESIN MOLDING MATERIAL, AND CURED OBJECT OBTAINED THEREFROM SUMITOMO BAKELITE CO (JP) 2015-05-20 EP disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed
EP-0665789-B1 HEAT-SENSITIVE IMAGE RECORDING MEDIUM AND PROCESS POLAROID CORP (US) 1997-01-22 EP disclosed