SCHEMBL9259825

SCHEMBL9259825

Cc1oc(-c2ccc(OC(F)C(F)F)cc2)nc1COc1ccc(CN(O)C(N)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.53
PPARA Q07869 13/20 0.53
POLB P06746 1/20 0.51
FFAR1 O14842 1/20 0.50
TP53 P04637 1/20 0.45
MAPT P10636 2/20 0.44
PPARD Q03181 2/20 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
SCHEMBL9258855 0.86 FFAR1 (0.67) PPARGPPARAFFAR1
SCHEMBL9263906 0.85 PPARG (0.55) PPARGPPARAPOLBFFAR1MAPT
SCHEMBL9259822 0.85 FFAR1 (0.52) PPARGPPARAPOLBFFAR1MAPT
SCHEMBL9259819 0.83 FFAR1 (0.49) PPARGPPARAPOLBFFAR1MAPT
SCHEMBL9005900 0.80 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL9156966 0.79 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL9005936 0.78 PPARG (0.64) PPARGPPARA
SCHEMBL9005899 0.77 PPARA (0.58) PPARGPPARA
SCHEMBL9177905 0.77 PPARG (0.65) PPARGPPARA
SCHEMBL8859196 0.77 PPARG (0.72) PPARGPPARAPPARD

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