SCHEMBL7385683

SCHEMBL7385683

NN=Cc1ccc(CCCCNC(=O)NC(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.54
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
CCR3 P51677 1/20 0.46
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7386330 0.90 EPHX2 (0.43) EPHX2ITGB3ITGA2B
SCHEMBL7384204 0.85 ITGB3 (0.67) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL7384441 0.84 EPHX2 (0.49) EPHX2ITGB3ITGA2BALDH1A1HPGD
SCHEMBL9386349 0.82 ITGB3 (0.43) EPHX2ITGB3ITGA2BITGAVITGB5
SCHEMBL7385682 0.81 ITGB3 (0.73) EPHX2ITGB3ITGA2BCCR3THRB
SCHEMBL7380918 0.81 ITGB3 (0.60) ITGB3ITGA2BITGAVITGB5ITGB6
SCHEMBL9293684 0.81 TSHR (0.41) EPHX2KMT2A
SCHEMBL7387828 0.80 EPHX2 (0.37) EPHX2ITGB3ITGA2BALDH1A1HPGD
SCHEMBL7383847 0.80 EPHX2 (0.57) EPHX2ITGB3ITGA2BCCR3
SCHEMBL7388376 0.80 ITGB3 (0.59) ITGB3ITGA2BITGAVITGB5ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US claimed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO claimed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US claimed
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO disclosed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US disclosed