SCHEMBL9754221

SCHEMBL9754221

O=C(CSc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 8/20 0.47
AKR1C3 P42330 2/20 0.41
SGMS1 Q86VZ5 2/20 0.41
PRMT1 Q99873 2/20 0.40
TBXAS1 P24557 3/20 0.39
F2 P00734 2/20 0.39
PLG P00747 1/20 0.39

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
SCHEMBL9754344 0.87 TBXA2R (0.58) TBXA2RAKR1C3SGMS1PRMT1TBXAS1
SCHEMBL9754509 0.86 TBXA2R (0.49) TBXA2RAKR1C3SGMS1PRMT1TBXAS1
SCHEMBL9754515 0.86 TBXA2R (0.49) TBXA2RAKR1C3SGMS1PRMT1TBXAS1
SCHEMBL9754248 0.85 TBXA2R (0.57) TBXA2RAKR1C3SGMS1PRMT1TBXAS1
Hydrochloric Acid SCHEMBL9850342 0.84 SGMS1 (0.50) TBXA2RAKR1C3SGMS1TBXAS1F2
SCHEMBL9754541 0.84 TBXA2R (0.47) TBXA2RAKR1C3SGMS1PRMT1TBXAS1
SCHEMBL9754546 0.84 TBXA2R (0.47) TBXA2RAKR1C3SGMS1PRMT1TBXAS1
SCHEMBL9754254 0.81 TBXA2R (0.56) TBXA2RAKR1C3SGMS1PRMT1TBXAS1
SCHEMBL9754213 0.77 TBXA2R (0.69) TBXA2RAKR1C3PRMT1TBXAS1
SCHEMBL9754328 0.76 TBXA2R (0.62) TBXA2RAKR1C3SGMS1PRMT1TBXAS1

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