SCHEMBL9754254

SCHEMBL9754254

C[C@H](NC(=O)CSc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.56
PRMT1 Q99873 2/20 0.46
AKR1C3 P42330 2/20 0.46
SGMS1 Q86VZ5 2/20 0.45
SDCBP O00560 1/20 0.44
SDC2 P34741 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
SCHEMBL9754248 0.90 TBXA2R (0.57) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1
SCHEMBL9754344 0.88 TBXA2R (0.58) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1
SCHEMBL9754213 0.85 TBXA2R (0.69) TBXA2RPRMT1AKR1C3ALDH1A1TP53
SCHEMBL9754328 0.83 TBXA2R (0.62) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1
SCHEMBL9754202 0.83 TBXA2R (0.58) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1
SCHEMBL9754205 0.83 TBXA2R (0.58) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1
SCHEMBL9850603 0.81 SGMS1 (0.59) TBXA2RAKR1C3SGMS1
SCHEMBL9850329 0.81 SGMS1 (0.59) TBXA2RAKR1C3SGMS1
SCHEMBL9754221 0.81 TBXA2R (0.47) TBXA2RPRMT1AKR1C3SGMS1TBXAS1
SCHEMBL9754304 0.80 TBXA2R (0.55) TBXA2RPRMT1AKR1C3SGMS1ALDH1A1

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