SCHEMBL9028130

SCHEMBL9028130

C=CCc1c(O)c(CC(=C)C)cc(O)c1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
AR P10275 1/20 0.31
PTGS1 P23219 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
XDH P47989 1/20 0.31

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
SCHEMBL9028429 0.89 GABRA1 (0.35) KDM4EGLAGAAGABRA1GABRB2
SCHEMBL9028520 0.77 GAA (0.33) KDM4EGLAGAAGABRA1GABRB2
SCHEMBL9028140 0.77 KDM4E (0.38) KDM4EGLAGAAGABRA1GABRB2
SCHEMBL9028182 0.75 GABRA1 (0.33) KDM4EGLAGAAGABRA1GABRB2
SCHEMBL9026750 0.70 GABRA1 (0.39) KDM4EGAAGABRA1GABRB2ALDH1A1
SCHEMBL9571652 0.69 MAOB (0.33) KDM4EGLAGAA
SCHEMBL9571334 0.69 MAOB (0.35) KDM4EGLAGAA
SCHEMBL9028435 0.69 DHFR (0.37) KDM4EGLAGAAGABRA1GABRB2
SCHEMBL9028192 0.69 KDM4E (0.37) KDM4EPTGS1
SCHEMBL9028185 0.68 PRKCI (0.36) KDM4EGLAGAAGABRA1GABRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed
US-5149834-A Anticholesterol agent and enzyme inhibitors, for curing arteriosclerosis FUJIREBIO INC. (JP) 1992-09-22 US disclosed
EP-0445827-A2 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO INC. (JP) 1991-09-11 EP disclosed