SCHEMBL5802964

SCHEMBL5802964

CCc1ccc(CCOc2ccc(C(C)(OC)C(=O)O)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.51
CYP3A4 P08684 1/20 0.50
RXRA P19793 1/20 0.50
PPARA Q07869 9/20 0.43
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
PPARD Q03181 6/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8805588 0.82 MEN1 (0.43) PPARGCYP3A4RXRAPPARACYP4F2
SCHEMBL1201522 0.81 PPARG (0.53) PPARGCYP3A4RXRAPPARACYP4F2
SCHEMBL1199906 0.81 PPARG (0.53) PPARGCYP3A4RXRAPPARACYP4F2
SCHEMBL943063 0.79 PPARG (0.58) PPARGCYP3A4RXRAPOLBALDH1A1
SCHEMBL5805165 0.78 PPARG (0.48) PPARGCYP3A4RXRAPPARACYP4F2
SCHEMBL1162595 0.78 LMNA (0.63) PPARGCYP3A4RXRAPPARACYP4F2
SCHEMBL18015059 0.77 PPARG (0.57) PPARGCYP3A4RXRAPOLBLMNA
SCHEMBL6509355 0.77 PPARG (0.46) PPARGCYP3A4RXRAPPARACYP4F2
SCHEMBL6509358 0.77 PPARG (0.46) PPARGCYP3A4RXRAPPARACYP4F2
SCHEMBL24209462 0.76 PPARG (0.54) PPARGCYP3A4RXRAPPARACYP4F2

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
WO-2006082495-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-10 WO disclosed