SCHEMBL8634304

SCHEMBL8634304

NC(CC[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.62
ITGA2B P08514 10/20 0.62
ITGAV P06756 5/20 0.45
F10 P00742 1/20 0.44

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
SCHEMBL7395286 0.83 ITGB3 (0.61) ITGB3ITGA2BITGAVF10
SCHEMBL7395291 0.83 ITGB3 (0.61) ITGB3ITGA2BITGAVF10
SCHEMBL7141583 0.76 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL7141576 0.76 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL8631652 0.76 ITGB3 (0.51) ITGB3ITGA2BF10
SCHEMBL6789616 0.76 ITGB3 (0.71) ITGB3ITGA2BF10
SCHEMBL6190799 0.76 ALDH1A1 (0.58) ITGB3ITGA2BF10
SCHEMBL22552564 0.76 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL22552563 0.76 ITGB3 (0.48) ITGB3ITGA2B
SCHEMBL7404574 0.76 ITGB3 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed