SCHEMBL8895536

SCHEMBL8895536

O=C(O)CCCCc1ccc(C(Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.52
MMP2 P08253 1/20 0.52
TBXA2R P21731 4/20 0.50
TBXAS1 P24557 3/20 0.50
ALDH1A1 P00352 3/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
S1PR1 P21453 7/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL8894761 0.97 ADAMTS5 (0.53) ADAMTS5MMP2TBXA2RTBXAS1ALDH1A1
SCHEMBL8896354 0.93 NPSR1 (0.53) ADAMTS5MMP2TBXA2RTBXAS1ALDH1A1
SCHEMBL8895575 0.93 NPSR1 (0.56) ADAMTS5MMP2TBXA2RALDH1A1NPSR1
SCHEMBL8896241 0.90 ADAMTS5 (0.48) ADAMTS5MMP2ALDH1A1TP53GAA
SCHEMBL8897096 0.89 TBXAS1 (0.52) ADAMTS5MMP2TBXA2RTBXAS1ALDH1A1
SCHEMBL8895021 0.89 NPSR1 (0.52) MMP2TBXA2RALDH1A1NPSR1MAPT
SCHEMBL8896483 0.88 TBXAS1 (0.53) ADAMTS5MMP2TBXA2RTBXAS1ALDH1A1
SCHEMBL8898142 0.88 S1PR1 (0.49) ADAMTS5MMP2TBXA2RTBXAS1ALDH1A1
SCHEMBL8895461 0.88 S1PR1 (0.49) ADAMTS5MMP2TBXA2RTBXAS1ALDH1A1
SCHEMBL8898502 0.88 IDO1 (0.49) ADAMTS5MMP2TBXA2RTBXAS1ALDH1A1

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