SCHEMBL9264706

SCHEMBL9264706

ONCc1ccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.51
PPARA Q07869 8/20 0.51
FFAR1 O14842 4/20 0.50
SMPD1 P17405 1/20 0.46
PPARD Q03181 4/20 0.44
ERBB2 P04626 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
SPHK2 Q9NRA0 1/20 0.42
MAOB P27338 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
SCHEMBL4747337 0.87 FFAR1 (0.53) PPARGPPARAFFAR1SMPD1PPARD
SCHEMBL4746718 0.85 FFAR1 (0.50) PPARGPPARAFFAR1SMPD1PPARD
SCHEMBL9093694 0.85 FFAR1 (0.67) PPARGPPARAFFAR1
SCHEMBL9261947 0.80 PPARG (0.49) PPARGPPARAFFAR1PPARDERBB2
SCHEMBL9089772 0.79 PPARG (0.53) PPARGPPARAFFAR1SMPD1PPARD
SCHEMBL9261466 0.79 PPARG (0.47) PPARGPPARAFFAR1PPARDERBB2
SCHEMBL9261471 0.79 PPARG (0.47) PPARGPPARAFFAR1PPARDERBB2
SCHEMBL9266531 0.79 TP53 (0.51) PPARGPPARASMPD1PPARD
SCHEMBL4744035 0.77 PPARA (0.65) PPARGPPARAFFAR1
SCHEMBL4748565 0.76 PPARG (0.60) PPARGPPARAFFAR1SMPD1PPARD

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