SCHEMBL5339173

SCHEMBL5339173

C=CCc1cc(C(=O)COC)c(OC)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.41
GABRA1 P14867 2/20 0.41
CNR2 P34972 2/20 0.41
GABRB2 P47870 2/20 0.41
PTGS1 P23219 2/20 0.40
PTPN1 P18031 2/20 0.39
CYP3A4 P08684 4/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.38
PAX8 Q06710 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AR P10275 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL9417859 0.83 ALOX5 (0.46) ALOX5GABRA1CNR2GABRB2PTGS1
SCHEMBL10497736 0.79 CYP3A4 (0.55) CYP3A4PAX8MEN1KMT2AALDH1A1
SCHEMBL9349305 0.78 PTPN1 (0.55) ALOX5GABRA1CNR2GABRB2PTGS1
SCHEMBL3958644 0.75 HMGCR (0.65) ALOX5GABRA1CNR2GABRB2PTGS1
SCHEMBL942820 0.75 ALDH1A1 (0.55) ALOX5GABRA1CNR2GABRB2PTGS1
SCHEMBL29415497 0.75 ALDH1A1 (0.55) ALOX5GABRA1CNR2GABRB2PTGS1
SCHEMBL3959266 0.75 HTT (0.60) ALOX5GABRA1CNR2GABRB2PTGS1
SCHEMBL5373419 0.73 MAPT (0.37) ALOX5PTPN1PTGDRPTGDR2MEN1
SCHEMBL9417934 0.72 PTPN1 (0.52) PTPN1CYP3A4MEN1KMT2A
SCHEMBL9417886 0.72 L3MBTL1 (0.41) ALDH1A1

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-2007053915-A2 NARINGENIN DERIVATIVES WITH SELECTIVITY ON ERS UNIVERSITEIT GENT (BE) 2007-05-18 WO disclosed