SCHEMBL9260665

SCHEMBL9260665

COC(=O)C(O)c1ccc(OCc2nc(-c3ccccc3)oc2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.62
PPARG P37231 9/20 0.60
PPARA Q07869 8/20 0.60
MAPT P10636 4/20 0.58
KDR P35968 1/20 0.53
TP53 P04637 3/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL29691546 0.84 FFAR1 (0.70) FFAR1PPARGPPARAMAPT
SCHEMBL3278854 0.82 MAPT (0.68) FFAR1PPARGPPARAMAPTKDR
SCHEMBL13721818 0.81 FFAR1 (0.63) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4850515 0.81 FFAR1 (0.71) FFAR1PPARGPPARAMAPTKDR
SCHEMBL6156630 0.81 FFAR1 (0.71) FFAR1PPARGPPARAMAPTKDR
SCHEMBL4030957 0.80 FFAR1 (0.70) FFAR1PPARGPPARAMAPTKDR
SCHEMBL14281854 0.80 PPARG (0.57) FFAR1PPARGPPARAMAPTKDR
SCHEMBL14307032 0.80 PPARG (0.59) FFAR1PPARGPPARAMAPTKDR
SCHEMBL14281856 0.80 PPARG (0.61) FFAR1PPARGPPARAMAPTKDR
SCHEMBL14302921 0.80 PPARG (0.61) FFAR1PPARGPPARAMAPTKDR

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-5459154-A Enzyme inhibitors as antiinflammatory agents and treatment of atherosclerosis AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-17 US disclosed