SCHEMBL8057786

SCHEMBL8057786

C[C@H](CCOc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1)C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.60
ITGA2B P08514 16/20 0.60
ITGAV P06756 2/20 0.54
PTPN1 P18031 2/20 0.50
CHRM2 P08172 1/20 0.48
SLC6A4 P31645 1/20 0.48
YAP1 P46937 1/20 0.46
ACE P12821 1/20 0.46

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
SCHEMBL8067444 1.00 ITGB3 (0.60) ITGB3ITGA2BITGAVPTPN1CHRM2
SCHEMBL8076479 0.92 ITGB3 (0.49) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8072985 0.92 ITGB3 (0.49) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL8071657 0.86 ITGB3 (0.74) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL2728905 0.80 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACE
SCHEMBL5727469 0.80 ITGB3 (0.74) ITGB3ITGA2BPTPN1ACE
SCHEMBL8073649 0.79 ITGB3 (0.37) ITGB3ITGA2BITGAV
SCHEMBL2894161 0.79 ITGB3 (0.49) ITGB3ITGA2BPTPN1YAP1
SCHEMBL2892006 0.79 ITGB3 (0.49) ITGB3ITGA2BPTPN1YAP1
SCHEMBL6685168 0.79 ITGB3 (0.79) ITGB3ITGA2BPTPN1ACE

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