SCHEMBL11548436

SCHEMBL11548436

CCOC(=O)C(C)(C)Oc1ccc(Oc2ccc(OC(C)(C)C(=O)OCC)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.76
ABCB11 O95342 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
TSHR P16473 1/20 0.76
HTR2A P28223 1/20 0.76
PMP22 Q01453 1/20 0.76
FBP1 P09467 8/20 0.59
PPARG P37231 6/20 0.51
OPRK1 P41145 1/20 0.48
ELANE P08246 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL21992458 0.92 PPARA (0.91) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL21991459 0.89 PPARA (0.62) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3903999 0.89 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL199420 0.88 PPARA (0.73) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7979408 0.88 PPARA (0.73) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13763797 0.86 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3823703 0.86 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4426376 0.86 PPARA (0.71) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL2356 0.86 PPARA (1.00) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL13757723 0.86 PPARA (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148915-A ARTERIOSCLEROSIS AND HYPERLIPEMIA TREATMENT DIURETICS, ANTICHOLESTEROL AND ANTILIPEMIC ALBERT ROLLAND, S.A. (FR) 1979-04-10 US disclosed