SCHEMBL6971760

SCHEMBL6971760

CCOC(=O)C1(c2ccc(Cl)cc2)OCC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)CO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
LMNA P02545 2/20 0.39
ABCB11 O95342 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 5/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
PTGES O14684 2/20 0.37
XPO1 O14980 1/20 0.37
CNR1 P21554 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL7137847 0.84 LMNA (0.42) LMNAMAPTPPARGCNR1EPHX2
SCHEMBL6970913 0.84 OPRM1 (0.45) OPRM1LMNAABCB11MAPTMAPK1
SCHEMBL6979573 0.83 OPRM1 (0.49) OPRM1LMNAABCB11MAPTMAPK1
SCHEMBL6981778 0.83 OPRM1 (0.42) OPRM1
SCHEMBL6971194 0.81 OPRM1 (0.45) OPRM1LMNAABCB11MAPTMAPK1
SCHEMBL7819154 0.81 CNR1 (0.36) OPRM1LMNAABCB11MAPTMAPK1
SCHEMBL6982866 0.77 OPRM1 (0.41) OPRM1LMNAABCB11MAPTMAPK1
SCHEMBL6978137 0.76 OPRM1 (0.43) OPRM1LMNAABCB11MAPTMAPK1
SCHEMBL6978140 0.76 OPRM1 (0.49) OPRM1
SCHEMBL6974990 0.76 OPRM1 (0.46) OPRM1LMNA

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-1098893-B1 CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed