SCHEMBL9754304

SCHEMBL9754304

CC(NC(=O)C[S+]([O-])c1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.55
PRMT1 Q99873 2/20 0.48
SGMS1 Q86VZ5 2/20 0.46
AKR1C3 P42330 2/20 0.45
TBXAS1 P24557 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL9754307 1.00 TBXA2R (0.55) TBXA2RPRMT1SGMS1AKR1C3TBXAS1
SCHEMBL9754543 0.90 TBXA2R (0.56) TBXA2RPRMT1SGMS1AKR1C3TBXAS1
SCHEMBL9754545 0.90 TBXA2R (0.56) TBXA2RPRMT1SGMS1AKR1C3TBXAS1
SCHEMBL9754313 0.88 TBXA2R (0.57) TBXA2RPRMT1SGMS1AKR1C3ALDH1A1
SCHEMBL9754308 0.88 TBXA2R (0.57) TBXA2RPRMT1SGMS1AKR1C3ALDH1A1
SCHEMBL9754244 0.84 TBXA2R (0.61) TBXA2RPRMT1SGMS1AKR1C3TBXAS1
SCHEMBL9754202 0.82 TBXA2R (0.58) TBXA2RPRMT1SGMS1AKR1C3TBXAS1
SCHEMBL9754205 0.82 TBXA2R (0.58) TBXA2RPRMT1SGMS1AKR1C3TBXAS1
SCHEMBL9754546 0.81 TBXA2R (0.47) TBXA2RPRMT1SGMS1AKR1C3TBXAS1
SCHEMBL9754541 0.81 TBXA2R (0.47) TBXA2RPRMT1SGMS1AKR1C3TBXAS1

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