SCHEMBL8894880

SCHEMBL8894880

COC(=O)CCCc1ccc(C(CCCCCc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
UTS2R Q9UKP6 2/20 0.44
TBXAS1 P24557 6/20 0.44
TBXA2R P21731 4/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 3/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
MMP9 P14780 2/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 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
SCHEMBL8897709 1.00 ALDH1A1 (0.45) ALDH1A1TP53GAAUTS2RTBXAS1
SCHEMBL8896393 0.99 ALDH1A1 (0.46) ALDH1A1TP53GAAUTS2RTBXAS1
SCHEMBL8896351 0.96 ALDH1A1 (0.46) ALDH1A1TP53GAAUTS2RTBXAS1
SCHEMBL8897043 0.94 ALDH1A1 (0.46) ALDH1A1TP53GAAUTS2RTBXAS1
SCHEMBL8896086 0.91 UTS2R (0.45) ALDH1A1UTS2RTBXAS1TBXA2RATM
SCHEMBL8895286 0.91 UTS2R (0.45) ALDH1A1UTS2RTBXAS1TBXA2RATM
SCHEMBL8895738 0.91 UTS2R (0.45) ALDH1A1UTS2RTBXAS1TBXA2RATM
SCHEMBL8897125 0.91 UTS2R (0.45) ALDH1A1UTS2RTBXAS1TBXA2RATM
SCHEMBL8419601 0.90 UTS2R (0.44) ALDH1A1UTS2RTBXAS1TBXA2RMMP2
SCHEMBL8896474 0.90 ADAMTS5 (0.49) ALDH1A1TP53GAAATML3MBTL1

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