SCHEMBL30001297

SCHEMBL30001297

COC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(N)c1)NC(=O)c1c(C)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 6/20 0.44
▸ ITGA5 P08648 2/20 0.44
▸ ITGA4 P13612 4/20 0.40
▸ ITGB7 P26010 3/20 0.40
▸ ITGA2 P17301 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GPR139 Q6DWJ6 6/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ITGB2 P05107 1/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ ITGAL P20701 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL23455558 1.00 ITGB1 (0.44) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455557 1.00 ITGB1 (0.44) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL30001111 0.94 ITGB1 (0.49) ITGB1ITGA5ITGA4MEN1KMT2A
SCHEMBL23455482 0.94 ITGB1 (0.49) ITGB1ITGA5ITGA4MEN1KMT2A
SCHEMBL30001680 0.94 ITGB1 (0.49) ITGB1ITGA5ITGA4MEN1KMT2A
SCHEMBL23455481 0.94 ITGB1 (0.49) ITGB1ITGA5ITGA4MEN1KMT2A
SCHEMBL28958734 0.91 ITGB1 (0.53) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455362 0.86 ITGB1 (0.60) ITGB1ITGA5MEN1KMT2AALDH1A1
SCHEMBL23455543 0.86 ITGB1 (0.50) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455546 0.86 ITGB1 (0.50) ITGB1ITGA5ITGA4ITGB7ITGA2

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
EP-4072541-A1 ALPHA-5 BETA-1 INHIBITORS The Regents of the University of California (US) 2022-10-19 — — EP disclosed
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