SCHEMBL14010685

SCHEMBL14010685

CCOC(Cc1ccc(OCCn2c(C(F)(F)F)nc3cc(-c4ccccc4)ccc32)cc1)C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.51
PPARA Q07869 17/20 0.51
PPARD Q03181 3/20 0.51
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL5014125 0.94 PPARG (0.58) PPARGPPARAPPARDPGRADORA3
SCHEMBL5023628 0.93 PPARA (0.50) PPARGPPARAPPARDPGRADORA3
SCHEMBL14010682 0.89 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL5015073 0.84 PPARG (0.67) PPARGPPARAPPARDPGRADORA3
SCHEMBL5015518 0.84 PPARG (0.67) PPARGPPARAPPARDPGRADORA3
SCHEMBL5017679 0.84 PPARG (0.67) PPARGPPARAPPARDPGRADORA3
SCHEMBL5015601 0.83 PPARG (0.57) PPARGPPARAPPARDPGRADORA3
SCHEMBL5015608 0.83 PPARA (0.57) PPARGPPARAPPARDPGRADORA3
SCHEMBL5015569 0.81 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL5023583 0.81 PPARA (0.49) PPARGPPARAPPARDPGRADORA3

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-7456293-B2 Substituted carboxylic acid derivatives for the treatment of diabetes and lipid disorders, their preparation and use SK HOLDING CO., LTD (KR) 2008-11-25 US disclosed