SCHEMBL16130994

SCHEMBL16130994

CCCCC1NC(=O)C(CCCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.57
▸ ITGAV P06756 16/20 0.57
▸ ITGA2B P08514 5/20 0.57
▸ ITGB5 P18084 10/20 0.55
▸ ITGA5 P08648 4/20 0.54
▸ ITGB1 P05556 2/20 0.52
▸ ITGB6 P18564 2/20 0.52
▸ ITGB8 P26012 2/20 0.52

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
SCHEMBL29366713 0.87 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL17364341 0.87 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL7743709 0.87 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL13166793 0.87 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL16435343 0.86 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL16349548 0.86 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB5
SCHEMBL10259650 0.86 MC4R (0.62) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL12808284 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL14885799 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGA5
SCHEMBL21475019 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5ITGA5

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
US-8846110-B2 Polymeric systems for the delivery of anticancer drugs REXAHN PHARMACEUTICALS, INC. (US) 2014-09-30 — — US disclosed
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