SCHEMBL23518458

SCHEMBL23518458

COC1CCC(Nc2cccc(C(=O)NCC(=O)NC[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)c2)NC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 13/20 0.52
▸ ITGA5 P08648 11/20 0.52
▸ ITGAV P06756 9/20 0.41
▸ ITGA4 P13612 5/20 0.41
▸ ITGB3 P05106 5/20 0.38
▸ ITGB8 P26012 3/20 0.38
▸ ITGB5 P18084 1/20 0.36
▸ ITGB2 P05107 4/20 0.35
▸ ICAM1 P05362 4/20 0.35
▸ ITGAL P20701 4/20 0.35
▸ ITGB6 P18564 1/20 0.34

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
SCHEMBL23518423 0.84 ITGB1 (0.54) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23489245 0.82 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23518392 0.77 ITGB1 (0.49) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL28884201 0.75 ITGB1 (0.62) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23489243 0.75 ITGB1 (0.54) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23489275 0.74 ITGB1 (0.64) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23455386 0.74 ITGB1 (0.64) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23455360 0.74 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL23455361 0.74 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB3
SCHEMBL30000959 0.74 ITGB1 (0.57) ITGB1ITGA5ITGAVITGA4ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 — — WO disclosed
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