SCHEMBL9754558

SCHEMBL9754558

O=C(CS(=O)(=O)c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.60
ADAMTS5 Q9UNA0 1/20 0.53
MMP2 P08253 1/20 0.53
PRMT1 Q99873 2/20 0.49
AKR1C3 P42330 2/20 0.49
SGMS1 Q86VZ5 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
TBXAS1 P24557 1/20 0.46

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
SCHEMBL9754561 1.00 TBXA2R (0.60) TBXA2RADAMTS5MMP2PRMT1AKR1C3
SCHEMBL9754331 0.92 TBXA2R (0.59) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1
SCHEMBL9754202 0.87 TBXA2R (0.58) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1
SCHEMBL9754205 0.87 TBXA2R (0.58) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1
SCHEMBL9754509 0.87 TBXA2R (0.49) TBXA2RPRMT1AKR1C3SGMS1GAA
SCHEMBL9754515 0.87 TBXA2R (0.49) TBXA2RPRMT1AKR1C3SGMS1GAA
SCHEMBL9754342 0.84 TBXA2R (0.64) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1
SCHEMBL9754178 0.83 TBXA2R (0.72) TBXA2RPRMT1AKR1C3ALDH1A1TP53
SCHEMBL9754344 0.83 TBXA2R (0.58) TBXA2RADAMTS5MMP2PRMT1AKR1C3
SCHEMBL9850570 0.83 SGMS1 (0.60) TBXA2RADAMTS5MMP2SGMS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013868-A1 PHENYLTHIOALKYLCARBOXYLIC ACID DERIVATIVES, METHOD FOR PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-19 WO disclosed