SCHEMBL8072985

SCHEMBL8072985

COC(=O)C(Cc1ccc(OCC[C@@H](C)C2CCNCC2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.49
ITGA2B P08514 12/20 0.49
ITGAV P06756 2/20 0.47
YAP1 P46937 1/20 0.46
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
KLK5 Q9Y337 1/20 0.42
IL1RN P18510 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CHRM2 P08172 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL8076479 1.00 ITGB3 (0.49) ITGB3ITGA2BITGAVYAP1HRH2
SCHEMBL8057786 0.92 ITGB3 (0.60) ITGB3ITGA2BITGAVYAP1CHRM2
SCHEMBL8067444 0.92 ITGB3 (0.60) ITGB3ITGA2BITGAVYAP1CHRM2
SCHEMBL8076280 0.86 ITGB3 (0.64) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8073128 0.80 HRH2 (0.36) ITGB3ITGA2BITGAVHRH2HRH1
SCHEMBL2728593 0.80 ITGB3 (0.60) ITGB3ITGA2BYAP1HRH2HRH1
SCHEMBL5892285 0.80 ITGB3 (0.60) ITGB3ITGA2BYAP1HRH2HRH1
SCHEMBL2897695 0.80 HRH2 (0.42) ITGB3ITGA2BYAP1HRH2HRH1
SCHEMBL2897693 0.80 HRH2 (0.42) ITGB3ITGA2BYAP1HRH2HRH1
SCHEMBL4937967 0.79 ITGB3 (0.61) ITGB3ITGA2BKLK5HDAC8

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