SCHEMBL20730255

SCHEMBL20730255

CCOC(=O)C1CCc2cc(CCCO)ccc2O1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 7/20 0.79
CYP4A11 Q02928 7/20 0.79
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.41
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ALDH1A1 P00352 4/20 0.39
FFAR1 O14842 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL22070572 0.93 CYP4F2 (0.82) CYP4F2CYP4A11KMT2APOLBS1PR1
SCHEMBL24496641 0.88 CYP4A11 (0.61) CYP4F2CYP4A11S1PR1S1PR3FFAR1
SCHEMBL29586825 0.88 CYP4A11 (0.61) CYP4F2CYP4A11S1PR1S1PR3FFAR1
SCHEMBL29588356 0.88 CYP4A11 (0.61) CYP4F2CYP4A11S1PR1S1PR3FFAR1
SCHEMBL23309219 0.88 CYP4F2 (1.00) CYP4F2CYP4A11KMT2APOLBALDH1A1
SCHEMBL22070550 0.84 CYP4F2 (0.67) CYP4F2CYP4A11KMT2APOLBALDH1A1
SCHEMBL22098326 0.84 CYP4F2 (0.67) CYP4F2CYP4A11KMT2APOLBALDH1A1
SCHEMBL13230299 0.82 CYP4F2 (0.75) CYP4F2CYP4A11KMT2APOLBALDH1A1
SCHEMBL10508228 0.81 CYP4F2 (0.73) CYP4F2CYP4A11KMT2APOLBALDH1A1
SCHEMBL20876745 0.80 CYP4F2 (0.72) CYP4F2CYP4A11KMT2APOLBALDH1A1

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-2019031618-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE 大正製薬株式会社 2019-02-14 WO disclosed