SCHEMBL6980709

SCHEMBL6980709

NN=Cc1ccc(NC(=O)CCC(=O)NC(CC(=O)O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.71
ITGA2B P08514 12/20 0.71
ATM Q13315 1/20 0.49
ITGAV P06756 6/20 0.47
POLB P06746 1/20 0.46
ITGB5 P18084 1/20 0.45
ITGB6 P18564 1/20 0.45
ITGB8 P26012 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
SCHEMBL7379892 0.85 ITGB3 (0.53) ITGB3ITGA2BITGAVPOLBITGB5
SCHEMBL6352863 0.84 ITGB3 (0.74) ITGB3ITGA2BITGAVPOLBITGB5
SCHEMBL6980684 0.83 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7353558 0.82 ITGB3 (0.65) ITGB3ITGA2BPOLB
SCHEMBL6985677 0.80 ATM (0.50) ITGB3ITGA2BATMPOLB
SCHEMBL6985451 0.77 ITGB3 (0.47) ITGB3ITGA2BPOLB
SCHEMBL8906500 0.77 CA1 (0.46) ITGB3ITGA2BPOLB
SCHEMBL8906494 0.77 CA1 (0.46) ITGB3ITGA2BPOLB
SCHEMBL7345488 0.76 ITGB3 (0.54) ITGB3ITGA2BATMPOLB
SCHEMBL6983379 0.76 ITGB3 (0.69) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539343-B1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2000-07-26 EP claimed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP claimed
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-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US 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