SCHEMBL28958734

SCHEMBL28958734

Cc1cccc(Cl)c1C(=O)NC(CNC(=O)CNC(=O)c1cccc(N)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 15/20 0.53
▸ ITGA5 P08648 5/20 0.53
▸ ITGA4 P13612 12/20 0.48
▸ ITGB7 P26010 4/20 0.48
▸ ITGA2 P17301 1/20 0.48
▸ ITGB2 P05107 1/20 0.45
▸ ICAM1 P05362 1/20 0.45
▸ ITGAL P20701 1/20 0.45
▸ ITGAV P06756 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GPR139 Q6DWJ6 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ITGB8 P26012 1/20 0.41

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
SCHEMBL23455361 0.93 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB2ICAM1
SCHEMBL23455360 0.93 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB2ICAM1
SCHEMBL30000959 0.93 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB2ICAM1
SCHEMBL30001297 0.91 ITGB1 (0.44) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455557 0.91 ITGB1 (0.44) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455558 0.91 ITGB1 (0.44) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23518390 0.86 ITGB1 (0.57) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455464 0.86 ITGB1 (0.59) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455460 0.86 ITGB1 (0.59) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL23455482 0.84 ITGB1 (0.49) ITGB1ITGA5ITGA4ITGAVGPR139

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
CN-115348861-A Alpha-5 beta-1 inhibitors 加利福尼亚大学董事会 2022-11-15 — — CN disclosed
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