SCHEMBL8076280

SCHEMBL8076280

COC(=O)C(Cc1ccc(OCCCC2CCNCC2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.64
ITGA2B P08514 18/20 0.64
ITGAV P06756 2/20 0.61
CHRM2 P08172 1/20 0.54
SLC6A4 P31645 1/20 0.54

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
SCHEMBL8071657 0.91 ITGB3 (0.74) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8072985 0.86 ITGB3 (0.49) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8076479 0.86 ITGB3 (0.49) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8066595 0.85 ITGB3 (0.50) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL15593763 0.83 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL16815979 0.83 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL8076407 0.83 ITGB3 (0.53) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL3498974 0.83 YAP1 (0.53) ITGB3ITGA2B
SCHEMBL3498976 0.83 YAP1 (0.53) ITGB3ITGA2B
SCHEMBL5892285 0.82 ITGB3 (0.60) ITGB3ITGA2B

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-2009034388-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2009-03-19 WO disclosed