SCHEMBL29138461

SCHEMBL29138461

Cc1cc(C=CC(=O)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.56
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
MAOB P27338 2/20 0.48
KRAS P01116 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
F3 P13726 1/20 0.45
CYP2D6 P10635 1/20 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
SCHEMBL12464057 0.90 PPARA (0.71) PPARAPPARGPPARD
SCHEMBL12965011 0.89 PPARA (0.55) PPARAPPARGPPARDMAOBKRAS
SCHEMBL2598006 0.86 MAOB (0.51) MAOB
SCHEMBL2598005 0.86 MAOB (0.51) MAOB
SCHEMBL12186106 0.86 PPARA (0.54) PPARAPPARGPPARDMAOBCYP1A1
SCHEMBL29138462 0.84 PPARD (0.49) PPARAPPARGPPARDMAOBCYP1A1
SCHEMBL20932824 0.81 PPARG (0.80) PPARAPPARGPPARD
SCHEMBL2647392 0.80 CYP2D6 (0.63) MAOBCYP1A1CYP1B1F3CYP2D6
SCHEMBL2648722 0.79 MAOB (0.69) MAOBCYP1A1CYP1B1F3CYP2D6
SCHEMBL2665078 0.79 MAOB (0.69) MAOBCYP1A1CYP1B1F3CYP2D6

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
CN-113677336-B Combination therapy comprising a compound of formula (I) and a GLP-1 receptor agonist 基恩菲特公司 2024-04-30 CN disclosed
CN-109072302-B Non-invasive diagnosis of non-alcoholic steatohepatitis 基恩菲特公司 2024-01-16 CN disclosed