SCHEMBL9510832

SCHEMBL9510832

CC(NC(=O)C(F)Oc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.54
SGMS1 Q86VZ5 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PPARG P37231 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PRMT1 Q99873 2/20 0.45
AKR1C3 P42330 1/20 0.45
POLB P06746 1/20 0.45
EPHX2 P34913 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL9510823 0.84 TBXA2R (0.58) TBXA2RSGMS1MEN1KMT2APPARG
SCHEMBL9510559 0.80 TBXA2R (0.53) TBXA2RSGMS1ALDH1A1MAPT
SCHEMBL9129731 0.80 TBXA2R (0.67) TBXA2RSGMS1MEN1KMT2APPARG
SCHEMBL9129003 0.79 SGMS1 (0.57) TBXA2RSGMS1MEN1KMT2APPARG
SCHEMBL9127032 0.78 TBXA2R (0.64) TBXA2RSGMS1MEN1KMT2APPARG
SCHEMBL9493082 0.78 MEN1 (0.64) TBXA2RSGMS1MEN1KMT2APPARG
SCHEMBL11338344 0.76 PPARA (0.61) TBXA2RSGMS1MEN1KMT2APPARG
SCHEMBL11339500 0.76 TBXA2R (0.58) TBXA2RSGMS1MEN1KMT2APPARG
SCHEMBL9483898 0.75 MEN1 (0.56) TBXA2RSGMS1MEN1KMT2APPARG
SCHEMBL8840166 0.74 TBXA2R (0.64) TBXA2RSGMS1MEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP claimed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US claimed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP claimed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP disclosed