SCHEMBL6509358

SCHEMBL6509358

CCc1ccc(CCOc2ccc(CC(C)(C(=O)O)C(C)=NOC)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.46
CYP3A4 P08684 1/20 0.46
RXRA P19793 1/20 0.46
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PPARA Q07869 11/20 0.38
PPARD Q03181 8/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6509355 1.00 PPARG (0.46) PPARGCYP3A4RXRACYP4F2CYP4A11
SCHEMBL1201522 0.81 PPARG (0.53) PPARGCYP3A4RXRACYP4F2CYP4A11
SCHEMBL1199906 0.81 PPARG (0.53) PPARGCYP3A4RXRACYP4F2CYP4A11
SCHEMBL6505868 0.78 PPARG (0.52) PPARGPPARA
SCHEMBL5802964 0.77 PPARG (0.51) PPARGCYP3A4RXRACYP4F2CYP4A11
SCHEMBL24209462 0.77 PPARG (0.54) PPARGCYP3A4RXRACYP4F2CYP4A11
SCHEMBL943063 0.74 PPARG (0.58) PPARGCYP3A4RXRAALDH1A1POLB
SCHEMBL1162595 0.73 LMNA (0.63) PPARGCYP3A4RXRACYP4F2CYP4A11
SCHEMBL6383438 0.73 PPARG (0.47) PPARGCYP3A4RXRACYP4F2CYP4A11
SCHEMBL6383648 0.73 PPARG (0.47) PPARGCYP3A4RXRACYP4F2CYP4A11

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-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed