SCHEMBL9754178

SCHEMBL9754178

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

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.72
AKR1C3 P42330 2/20 0.59
PRMT1 Q99873 2/20 0.56
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.54
TBXAS1 P24557 3/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL9754342 0.89 TBXA2R (0.64) TBXA2RAKR1C3PRMT1ALDH1A1TP53
SCHEMBL9754331 0.85 TBXA2R (0.59) TBXA2RAKR1C3PRMT1ALDH1A1TP53
SCHEMBL9754205 0.84 TBXA2R (0.58) TBXA2RAKR1C3PRMT1ALDH1A1TP53
SCHEMBL9754202 0.84 TBXA2R (0.58) TBXA2RAKR1C3PRMT1ALDH1A1TP53
SCHEMBL15078819 0.84 TBXA2R (0.81) TBXA2RAKR1C3PRMT1ALDH1A1TP53
SCHEMBL14327858 0.84 TBXA2R (1.00) TBXA2RALDH1A1TBXAS1MAPT
SCHEMBL9754558 0.83 TBXA2R (0.60) TBXA2RAKR1C3PRMT1ALDH1A1TP53
SCHEMBL9754561 0.83 TBXA2R (0.60) TBXA2RAKR1C3PRMT1ALDH1A1TP53
SCHEMBL9131036 0.83 TBXA2R (0.82) TBXA2RAKR1C3PRMT1ALDH1A1TP53
SCHEMBL27347377 0.81 TBXA2R (0.84) TBXA2RALDH1A1TP53GAATBXAS1

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