SCHEMBL7807986

SCHEMBL7807986

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
FFAR1 O14842 1/20 0.45
LTA4H P09960 2/20 0.44
EPHX2 P34913 1/20 0.44
PTPN1 P18031 7/20 0.43
PPARG P37231 4/20 0.43
PPARA Q07869 3/20 0.43
PPARD Q03181 1/20 0.41
PKM P14618 1/20 0.41
YAP1 P46937 1/20 0.41
GPR34 Q9UPC5 1/20 0.40

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
SCHEMBL6501114 0.90 FFAR1 (0.49) MAOBFFAR1LTA4HEPHX2PPARG
SCHEMBL27533969 0.82 PPARA (0.47) MAOBFFAR1LTA4HEPHX2PTPN1
SCHEMBL27533972 0.78 PPARG (0.42) FFAR1LTA4HEPHX2PTPN1PPARG
SCHEMBL27535223 0.78 NR1H4 (0.47) FFAR1PTPN1PPARGPPARAPPARD
SCHEMBL27510388 0.77 MAOB (0.53) MAOBFFAR1LTA4HPPARGPPARA
SCHEMBL6178570 0.77 FFAR1 (0.52) MAOBFFAR1LTA4HPTPN1PPARG
SCHEMBL1822558 0.74 ITGB3 (0.69)
SCHEMBL6491209 0.73 LTA4H (0.48) MAOBFFAR1LTA4HEPHX2PPARG
SCHEMBL7498912 0.73 LTA4H (0.40) FFAR1LTA4HEPHX2PTPN1PPARG
SCHEMBL13643129 0.72 MAOB (0.65) MAOBFFAR1LTA4HPPARGPPARA

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-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed