SCHEMBL8894830

SCHEMBL8894830

Cc1cccc(CCC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(CCCC(=O)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.48
UTS2R Q9UKP6 1/20 0.48
TBXAS1 P24557 10/20 0.47
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ATM Q13315 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 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
SCHEMBL8895801 0.91 UTS2R (0.58) TBXA2RUTS2RTBXAS1NPSR1L3MBTL1
SCHEMBL8895739 0.91 TBXAS1 (0.52) TBXA2RUTS2RTBXAS1NPSR1L3MBTL1
SCHEMBL8895823 0.91 UTS2R (0.47) TBXA2RUTS2RTBXAS1L3MBTL1TDP1
SCHEMBL8896251 0.90 TBXAS1 (0.52) TBXA2RUTS2RTBXAS1NPSR1L3MBTL1
SCHEMBL8896305 0.90 TBXA2R (0.48) TBXA2RUTS2RTBXAS1NPSR1ALDH1A1
SCHEMBL8897707 0.87 NPSR1 (0.48) TBXA2RUTS2RTBXAS1NPSR1L3MBTL1
SCHEMBL8895178 0.87 TBXAS1 (0.52) TBXA2RUTS2RTBXAS1NPSR1L3MBTL1
SCHEMBL8898306 0.87 TBXAS1 (0.47) TBXA2RUTS2RTBXAS1NPSR1L3MBTL1
SCHEMBL8894975 0.86 NPSR1 (0.47) TBXA2RUTS2RTBXAS1NPSR1L3MBTL1
SCHEMBL8897096 0.86 TBXAS1 (0.52) TBXA2RUTS2RTBXAS1NPSR1L3MBTL1

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