SCHEMBL8922447

SCHEMBL8922447

CCOCOc1c(C(C)(C)C)cc(OCCOc2ccc(OC(C)(C)C(=O)OCC)cc2)cc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.51
PMP22 Q01453 1/20 0.51
FBP1 P09467 10/20 0.46
PPARG P37231 5/20 0.40
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRK1 P41145 1/20 0.35
PPARD Q03181 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
SCHEMBL8768079 0.88 PPARG (0.46) PPARACYP1A2CYP3A4PPARGPPARD
SCHEMBL8921956 0.88 PPARA (0.46) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL8921601 0.88 PPARA (0.46) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13905182 0.77 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL8767368 0.77 PPARG (0.42) PPARAPPARGPPARD
SCHEMBL8768660 0.76 CYP3A4 (0.39) CYP3A4
SCHEMBL3683041 0.75 PPARA (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5892279 0.75 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5892183 0.75 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5990208 0.72 PPARA (0.59) PPARAABCB11CYP1A2CYP3A4TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed
US-5512595-A FOR SUPPRESSION OF MEMBRANE LIPID PEROXIDATION, ANTILIPEMIC AGENTS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed