SCHEMBL9259822

SCHEMBL9259822

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PPARG P37231 13/20 0.50
PPARA Q07869 13/20 0.50
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL9263906 0.93 PPARG (0.55) FFAR1PPARGPPARACYP2C9KCNH2
SCHEMBL9259819 0.88 FFAR1 (0.49) FFAR1PPARGPPARACYP2C9KCNH2
SCHEMBL9258855 0.87 FFAR1 (0.67) FFAR1PPARGPPARA
SCHEMBL9259825 0.85 PPARG (0.53) FFAR1PPARGPPARAPOLBMAPT
SCHEMBL9005899 0.84 PPARA (0.58) PPARGPPARA
SCHEMBL9253284 0.83 PPARG (0.55) FFAR1PPARGPPARACYP2C9KCNH2
SCHEMBL9176979 0.82 PPARG (0.66) PPARGPPARACYP2C9KCNH2
SCHEMBL9175578 0.82 PPARG (0.56) PPARGPPARACYP2C9KCNH2POLB
SCHEMBL9005900 0.82 PPARG (0.60) PPARGPPARA
SCHEMBL9156966 0.81 PPARA (0.61) PPARGPPARA

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