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SCHEMBL12528230

SCHEMBL12528230

C=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CC[C@H](C)C(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.56
▸ ITGAV P06756 16/20 0.56
▸ ITGA5 P08648 3/20 0.56
▸ ITGB1 P05556 1/20 0.56
▸ ITGB5 P18084 7/20 0.53
▸ ITGA2B P08514 4/20 0.48

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
SCHEMBL11417675 0.93 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL24253223 0.87 ITGB3 (0.58) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL24253222 0.87 ITGB3 (0.58) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL24253294 0.83 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL10138534 0.83 ITGB3 (0.60) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL20822613 0.83 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL15397366 0.83 ITGB3 (0.60) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL23823921 0.83 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL22970321 0.83 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1ITGB5
SCHEMBL7744260 0.83 ITGB3 (0.56) ITGB3ITGAVITGA5ITGB1ITGB5

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-2012095347-A9 TRIAZACYCLONONANE-BASED PHOSPHINATE LIGAND AND ITS USE FOR MOLECULAR IMAGING Technische Universität München (DE) 2012-09-20 — — WO disclosed
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