SCHEMBL9258855

SCHEMBL9258855

Cc1oc(-c2ccccc2)nc1COc1ccc(CN(O)C(N)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.67
PPARG P37231 17/20 0.62
PPARA Q07869 16/20 0.62
KDR P35968 1/20 0.55

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
SCHEMBL8859196 0.91 PPARG (0.72) PPARGPPARA
SCHEMBL9174135 0.89 KDR (0.69) FFAR1PPARGPPARAKDR
SCHEMBL9176157 0.88 FFAR1 (0.65) FFAR1PPARGPPARAKDR
SCHEMBL9174529 0.87 PPARG (0.59) FFAR1PPARGPPARAKDR
SCHEMBL9259822 0.87 FFAR1 (0.52) FFAR1PPARGPPARA
SCHEMBL9263906 0.87 PPARG (0.55) FFAR1PPARGPPARA
SCHEMBL9091545 0.87 FFAR1 (0.64) FFAR1PPARGPPARAKDR
SCHEMBL9090937 0.87 FFAR1 (0.64) FFAR1PPARGPPARAKDR
SCHEMBL9259825 0.86 PPARG (0.53) FFAR1PPARGPPARA
SCHEMBL9259819 0.85 FFAR1 (0.49) FFAR1PPARGPPARA

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