SCHEMBL6501114

SCHEMBL6501114

O=C(O)CC(Cc1ccc(OCc2ccccc2)cc1)c1nc(C(F)(F)F)cs1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.49
PPARG P37231 4/20 0.46
PPARA Q07869 3/20 0.46
PKM P14618 1/20 0.45
FFAR4 Q5NUL3 2/20 0.44
LTA4H P09960 2/20 0.44
EPHX2 P34913 1/20 0.44
MAOB P27338 1/20 0.43
MMP12 P39900 1/20 0.43
PPARD Q03181 1/20 0.42
ITGB3 P05106 4/20 0.41
ITGAV P06756 4/20 0.41
ITGB1 P05556 1/20 0.41
ITGB5 P18084 1/20 0.41
ITGB6 P18564 1/20 0.41
LAP3 P28838 1/20 0.41

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
SCHEMBL7807986 0.90 MAOB (0.49) FFAR1PPARGPPARAPKMLTA4H
SCHEMBL27533969 0.85 PPARA (0.47) FFAR1PPARGPPARAFFAR4LTA4H
SCHEMBL6499280 0.85 PKM (0.39) FFAR1PKMITGB3ITGAV
SCHEMBL6178570 0.84 FFAR1 (0.52) FFAR1PPARGPPARAPKMFFAR4
SCHEMBL27533972 0.81 PPARG (0.42) FFAR1PPARGPPARAFFAR4LTA4H
SCHEMBL1822558 0.79 ITGB3 (0.69) ITGB3ITGAVITGB1ITGB5ITGB6
SCHEMBL6491209 0.76 LTA4H (0.48) FFAR1PPARGPPARAFFAR4LTA4H
SCHEMBL6500369 0.76 AKR1B1 (0.37) PKM
SCHEMBL7498912 0.76 LTA4H (0.40) FFAR1PPARGPPARALTA4HEPHX2
SCHEMBL6177774 0.76 PKM (0.77) FFAR1PPARGPPARAPKMFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed
EP-1218005-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-12-15 EP disclosed
EP-1218005-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-10-09 EP disclosed
EP-1218005-A2 VITRONECTIN RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-07-03 EP disclosed
WO-2001017959-A2 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-03-15 WO disclosed