SCHEMBL4032713

SCHEMBL4032713

CCOC(CCCc1ccc(OCCc2ccc(CC)cn2)cc1)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.48
CYP3A4 P08684 1/20 0.47
RXRA P19793 1/20 0.47
PPARA Q07869 2/20 0.40
PLA2G4A P47712 1/20 0.35
FFAR1 O14842 1/20 0.35
POLB P06746 1/20 0.35
S1PR1 P21453 1/20 0.34
MCHR1 Q99705 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL4026047 0.79 PPARG (0.51) PPARGCYP3A4RXRAPPARAPOLB
SCHEMBL4025982 0.78 PPARG (0.46) PPARGCYP3A4RXRAPPARAPOLB
SCHEMBL4025989 0.74 PPARG (0.45) PPARGCYP3A4RXRAPPARAFFAR1
SCHEMBL4026050 0.74 PPARG (0.48) PPARGCYP3A4RXRAPPARAFFAR1
SCHEMBL5803154 0.74 PPARG (0.52) PPARGCYP3A4RXRAPPARAFFAR1
SCHEMBL2332774 0.74 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL2361274 0.74 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL2332479 0.74 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL4026049 0.73 PPARG (0.50) PPARGCYP3A4RXRAPPARAMCHR1
SCHEMBL4031575 0.73 PPARG (0.58) 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-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed