SCHEMBL6985451

SCHEMBL6985451

NN=Cc1ccc(NC(=O)CCC(=O)NC(CC(=O)O)c2ccco2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.47
ITGA2B P08514 15/20 0.47
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL7353558 0.85 ITGB3 (0.65) ITGB3ITGA2BPOLBMEN1KMT2A
SCHEMBL7346039 0.81 ITGB3 (0.50) ITGB3ITGA2BPOLBGAAHTT
SCHEMBL7345488 0.81 ITGB3 (0.54) ITGB3ITGA2BPOLBMEN1HTT
SCHEMBL6985437 0.81 ITGB3 (0.72) ITGB3ITGA2B
SCHEMBL6983705 0.80 ITGB3 (0.47) ITGB3ITGA2BPOLBMEN1HTT
SCHEMBL7346087 0.79 ITGB3 (0.53) ITGB3ITGA2BPOLBMEN1KMT2A
SCHEMBL7348197 0.79 ITGB3 (0.63) ITGB3ITGA2BPOLB
SCHEMBL8906494 0.79 CA1 (0.46) ITGB3ITGA2BPOLB
SCHEMBL8906500 0.79 CA1 (0.46) ITGB3ITGA2BPOLB
SCHEMBL6983379 0.79 ITGB3 (0.69) ITGB3ITGA2BKMT2A

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-0630366-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 2003-01-02 EP disclosed
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP disclosed
US-5254573-A Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-10-19 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed