SCHEMBL20140505

SCHEMBL20140505

COc1ccc(C(CC(=O)O)n2ncc(CCCC3CCc4cccnc4N3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.48
ITGB3 P05106 19/20 0.48
ITGB1 P05556 2/20 0.47
ITGA5 P08648 2/20 0.47
ITGB6 P18564 5/20 0.46
ITGA2B P08514 3/20 0.46
ITGB8 P26012 2/20 0.46
ITGB5 P18084 1/20 0.43

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
SCHEMBL21294608 0.81 ITGB3 (0.47) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21294590 0.81 ITGB3 (0.47) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20139505 0.81 ITGB3 (0.47) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21294589 0.81 ITGB3 (0.47) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL29797060 0.81 ITGB3 (0.47) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20139506 0.81 ITGB3 (0.47) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21294625 0.80 ITGB3 (0.42) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20141872 0.80 ITGB3 (0.42) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL21294623 0.80 ITGB3 (0.42) ITGAVITGB3ITGB1ITGA5ITGB6
SCHEMBL20141869 0.80 ITGB3 (0.42) ITGAVITGB3ITGB1ITGA5ITGB6

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
EP-3538525-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP claimed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO claimed