SCHEMBL11065191

SCHEMBL11065191

CCCCCC[C@H]1CC[C@H](CCc2ccc(C(=O)OC)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.51
GRM2 Q14416 2/20 0.50
CYP4F2 P78329 1/20 0.50
MGLL Q99685 1/20 0.46
THRA P10827 3/20 0.45
THRB P10828 3/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HRH1 P35367 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HAO1 Q9UJM8 1/20 0.43
RARB P10826 2/20 0.43

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
SCHEMBL11065186 1.00 CYP4A11 (0.51) CYP4A11GRM2CYP4F2MGLLTHRA
SCHEMBL11058923 1.00 CYP4A11 (0.51) CYP4A11GRM2CYP4F2MGLLTHRA
SCHEMBL11058919 1.00 CYP4A11 (0.51) CYP4A11GRM2CYP4F2MGLLTHRA
SCHEMBL11060372 0.99 CYP4A11 (0.52) CYP4A11GRM2CYP4F2MGLLTHRA
SCHEMBL11060365 0.99 CYP4A11 (0.52) CYP4A11GRM2CYP4F2MGLLTHRA
SCHEMBL11064346 0.95 CYP4A11 (0.49) CYP4A11GRM2CYP4F2LOXL2HRH1
SCHEMBL11064341 0.95 CYP4A11 (0.49) CYP4A11GRM2CYP4F2LOXL2HRH1
SCHEMBL11061983 0.95 CYP4A11 (0.54) CYP4A11GRM2CYP4F2LOXL2HRH1
SCHEMBL11061985 0.95 CYP4A11 (0.54) CYP4A11GRM2CYP4F2LOXL2HRH1
SCHEMBL11061734 0.89 CYP4A11 (0.53) CYP4A11CYP4F2LOXL2HRH1MAPT

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-4439015-A Disubstituted ethanes HOFFMANN-LA ROCHE INC. (US) 1984-03-27 US disclosed