SCHEMBL8895435

SCHEMBL8895435

CCCCCc1ccc(CCC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(CCCC(=O)OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKT1 P31749 1/20 0.38
IRS1 P35568 1/20 0.38
GAB1 Q13480 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8896463 0.99 UTS2R (0.44) UTS2RALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL8898667 0.99 UTS2R (0.44) UTS2RALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL8896098 0.97 UTS2R (0.46) UTS2RALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL8897166 0.95 UTS2R (0.46) UTS2RALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL8897066 0.95 UTS2R (0.49) UTS2RALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL8895286 0.94 UTS2R (0.45) UTS2RALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL8895738 0.94 UTS2R (0.45) UTS2RALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL8896622 0.94 UTS2R (0.45) UTS2RALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL8897125 0.94 UTS2R (0.45) UTS2RALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL8896086 0.94 UTS2R (0.45) UTS2RALDH1A1CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed