SCHEMBL9028140

SCHEMBL9028140

C=CCc1c(O)c(CC(=C)C)cc(O)c1CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CYP19A1 P11511 1/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DHFR P00374 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
OPRD1 P41143 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 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
SCHEMBL9028435 0.89 DHFR (0.37) KDM4EGLAGAACYP19A1MAPK1
SCHEMBL9028185 0.79 PRKCI (0.36) KDM4EGLAGAADHFRGABRA1
SCHEMBL9028520 0.77 GAA (0.33) KDM4EGLAGAAGABRA1GABRB2
SCHEMBL9028130 0.77 KDM4E (0.33) KDM4EGLAGAAGABRA1GABRB2
SCHEMBL1744591 0.75 KDM4E (0.40) KDM4EGLAGAACYP19A1HPGD
SCHEMBL9026754 0.74 GABRA1 (0.40) KDM4EGLAGAAMAPK1DHFR
SCHEMBL3045553 0.72 GABRA1 (0.47) KDM4EGLAGAAHPGDNPSR1
SCHEMBL1760617 0.70 HMGCR (0.42) KDM4EGAACYP19A1MAPK1HTT
SCHEMBL9027866 0.70 HTT (0.40) KDM4ECYP19A1MAPK1HTTNPC1
SCHEMBL9028429 0.69 GABRA1 (0.35) KDM4EGLAGAADHFRGABRA1

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