SCHEMBL8701360

SCHEMBL8701360

CCc1cc(CC)c(CC(NC(=O)OC(C)(C)C)C(=O)O)c(CC)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.54
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
PTPN1 P18031 1/20 0.47
PPARA Q07869 8/20 0.46
PPARG P37231 7/20 0.46
CTSS P25774 5/20 0.46
CTSK P43235 3/20 0.46
PPARD Q03181 2/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
SCN9A Q15858 1/20 0.44
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGB5 P18084 1/20 0.43

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
SCHEMBL10477354 0.90 ACE (0.51) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL11370729 0.90 ACE (0.51) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL3277645 0.83 ACE (0.59) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL3277639 0.83 ACE (0.59) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL10477452 0.83 ACE (0.47) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL10477455 0.83 ACE (0.47) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL9502547 0.82 ACE (0.64) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL16448191 0.82 ACE (0.64) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL2890189 0.78 ACE (0.53) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL10604860 0.78 ACE (0.53) ACEITGB3ITGA2BPTPN1PPARA

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-5750499-A ANTITUMOR THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1998-05-12 US disclosed