SCHEMBL22098326

SCHEMBL22098326

CCOC(=O)[C@@H]1CCc2ccc(CCO)cc2O1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 7/20 0.67
CYP4A11 Q02928 7/20 0.67
KMT2A Q03164 3/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
POLB P06746 2/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PPARD Q03181 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 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
SCHEMBL22070550 1.00 CYP4F2 (0.67) CYP4F2CYP4A11KMT2ADRD2DRD3
SCHEMBL22070572 0.91 CYP4F2 (0.82) CYP4F2CYP4A11KMT2ADRD2DRD3
SCHEMBL22071049 0.90 CYP4F2 (0.82) CYP4F2CYP4A11KMT2APOLBPPARG
SCHEMBL20730230 0.89 CYP4F2 (0.68) CYP4F2CYP4A11KMT2ADRD2DRD3
SCHEMBL20730225 0.87 CYP4F2 (0.65) CYP4F2CYP4A11KMT2APOLBPPARG
SCHEMBL22070528 0.86 CYP4F2 (0.64) CYP4F2CYP4A11KMT2ADRD2DRD3
SCHEMBL20730255 0.84 CYP4F2 (0.79) CYP4F2CYP4A11KMT2ADRD2DRD3
SCHEMBL12660944 0.84 CYP4F2 (0.64) CYP4F2CYP4A11KMT2APOLBPPARG
SCHEMBL1019684 0.83 CYP4F2 (0.62) CYP4F2CYP4A11DRD2DRD3
SCHEMBL9838425 0.83 CYP4F2 (0.62) CYP4F2CYP4A11DRD2DRD3

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-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed