SCHEMBL8896098

SCHEMBL8896098

CCCCc1ccc(CCC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(CCCC(=O)OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
S1PR1 P21453 2/20 0.42
TBXA2R P21731 2/20 0.41
TBXAS1 P24557 2/20 0.41
BACE1 P56817 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
IDH1 O75874 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL8895435 0.97 UTS2R (0.45) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8898667 0.96 UTS2R (0.44) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8896463 0.96 UTS2R (0.44) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8897066 0.96 UTS2R (0.49) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8895046 0.95 UTS2R (0.47) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8897166 0.94 UTS2R (0.46) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8895319 0.94 UTS2R (0.47) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8895481 0.93 KMT2A (0.47) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8895286 0.93 UTS2R (0.45) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8895738 0.93 UTS2R (0.45) UTS2RALDH1A1CYP1A2CYP3A4CYP2C9

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