SCHEMBL7094300

SCHEMBL7094300

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)c(F)c1F)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.53
CTSK P43235 6/20 0.53
PTPN1 P18031 1/20 0.51
ACE P12821 2/20 0.50
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
PPARA Q07869 7/20 0.46
PPARG P37231 6/20 0.46
SCN9A Q15858 1/20 0.45
PPARD Q03181 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL5041377 1.00 CTSS (0.53) CTSSCTSKPTPN1ACEITGB3
SCHEMBL23722980 0.89 CTSS (0.60) CTSSCTSKPTPN1ACEITGB3
SCHEMBL16447966 0.86 ITGA4 (0.48) CTSSCTSKPTPN1ACEITGB3
SCHEMBL4997014 0.85 PPARA (0.58) CTSSCTSKPTPN1ACEITGB3
SCHEMBL4997003 0.85 PPARA (0.58) CTSSCTSKPTPN1ACEITGB3
SCHEMBL27138772 0.85 CTSS (0.54) CTSSCTSKPTPN1ACEITGB3
SCHEMBL27149947 0.85 CTSS (0.54) CTSSCTSKPTPN1ACEITGB3
SCHEMBL5321402 0.84 CTSS (0.53) CTSSCTSKPTPN1ACEITGB3
SCHEMBL12737973 0.84 CTSS (0.53) CTSSCTSKPTPN1ACEITGB3
SCHEMBL5845049 0.84 CTSS (0.55) CTSSCTSKPTPN1ACEITGB3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0763026-B1 GASTRIN AND CCK ANTAGONISTS BLACK JAMES FOUNDATION (GB) 2003-03-26 EP disclosed
US-5912260-A GASTRIC ACID SECRETION JAMES BLACK FOUNDATION LIMITED (GB) 1999-06-15 US disclosed
EP-0763026-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1997-03-19 EP disclosed
WO-1995032949-A1 GASTRIN AND CCK ANTAGONISTS JAMES BLACK FOUNDATION LIMITED (GB) 1995-12-07 WO disclosed