SCHEMBL23518326

SCHEMBL23518326

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.49
▸ ITGA5 P08648 1/20 0.49
▸ GPR139 Q6DWJ6 3/20 0.49
▸ ATM Q13315 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CCR2 P41597 3/20 0.43
▸ PARP15 Q460N3 2/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 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
SCHEMBL30001111 0.89 ITGB1 (0.49) ITGB1ITGA5GPR139ATMMEN1
SCHEMBL23455481 0.89 ITGB1 (0.49) ITGB1ITGA5GPR139ATMMEN1
SCHEMBL30001680 0.89 ITGB1 (0.49) ITGB1ITGA5GPR139ATMMEN1
SCHEMBL23455482 0.89 ITGB1 (0.49) ITGB1ITGA5GPR139ATMMEN1
SCHEMBL23455558 0.85 ITGB1 (0.44) ITGB1ITGA5GPR139ATMMEN1
SCHEMBL30001297 0.85 ITGB1 (0.44) ITGB1ITGA5GPR139ATMMEN1
SCHEMBL23455557 0.85 ITGB1 (0.44) ITGB1ITGA5GPR139ATMMEN1
SCHEMBL23455354 0.85 ITGB1 (0.47) ITGB1ITGA5MEN1KMT2A
SCHEMBL23455356 0.85 ITGB1 (0.47) ITGB1ITGA5MEN1KMT2A
SCHEMBL23455443 0.84 ITGB1 (0.55) ITGB1ITGA5GPR139ATMMEN1

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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