SCHEMBL8306803

SCHEMBL8306803

CCC1=C(C)CN(CCOc2ccc(CC(OC)C(=O)O)cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.52
PPARA Q07869 17/20 0.52
PPARD Q03181 8/20 0.52
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL8302577 0.91 PPARG (0.41) PPARGPPARAPPARDDRD3
SCHEMBL8304445 0.91 PPARA (0.42) PPARGPPARAPPARD
SCHEMBL8307026 0.83 ITGB1 (0.41) PPARGPPARA
SCHEMBL8306160 0.79 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL8301343 0.78 HRH3 (0.39) PPARG
SCHEMBL27654978 0.76 PPARA (0.76) PPARGPPARAPPARD
SCHEMBL8301292 0.76 PPARG (0.37) PPARGPPARAPPARD
SCHEMBL543205 0.76 PPARG (0.62) PPARGPPARAPPARDPGRADORA3
SCHEMBL5383883 0.75 PPARA (0.84) PPARGPPARAPPARD
SCHEMBL5383887 0.75 PPARA (0.84) PPARGPPARAPPARD

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
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed