SCHEMBL8894784

SCHEMBL8894784

O=C(O)CCCc1ccc(C(CCc2ccc(F)cc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.48
TBXA2R P21731 4/20 0.48
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
UTS2R Q9UKP6 1/20 0.45
S1PR1 P21453 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL8896251 0.95 TBXAS1 (0.52) TBXAS1TBXA2RNPSR1UTS2RALDH1A1
SCHEMBL8898142 0.92 S1PR1 (0.49) TBXAS1TBXA2REGFRERBB2LMNA
SCHEMBL8895461 0.92 S1PR1 (0.49) TBXAS1TBXA2REGFRERBB2LMNA
SCHEMBL8898350 0.92 ALDH1A1 (0.48) TBXAS1LMNANPSR1ALDH1A1ATM
SCHEMBL8895739 0.92 TBXAS1 (0.52) TBXAS1TBXA2RNPSR1UTS2RALDH1A1
SCHEMBL8896305 0.90 TBXA2R (0.48) TBXAS1TBXA2RNPSR1UTS2RALDH1A1
SCHEMBL8895801 0.90 UTS2R (0.58) TBXAS1TBXA2REGFRERBB2LMNA
SCHEMBL8897707 0.90 NPSR1 (0.48) TBXAS1TBXA2RNPSR1UTS2RS1PR1
SCHEMBL8895038 0.89 UTS2R (0.45) TBXAS1TBXA2REGFRERBB2LMNA
SCHEMBL8894975 0.89 NPSR1 (0.47) TBXAS1TBXA2RNPSR1UTS2RS1PR1

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