SCHEMBL9028786

SCHEMBL9028786

C=C(C)COc1c(O)cc(CCC)c(OC(C)=O)c1CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
HMGCR P04035 2/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTB4R Q15722 1/20 0.32
PTPN1 P18031 4/20 0.32
PTPN11 Q06124 3/20 0.32
PRKCI P41743 1/20 0.32
PTPN2 P17706 1/20 0.32
PPARG P37231 3/20 0.31
PPARA Q07869 3/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9028753 0.80 ALOX5 (0.47) ALOX5HMGCRKDM4EMAPTHSD17B10
SCHEMBL4015738 0.72 ALOX5 (0.42) ALOX5KDM4EHSD17B10PTPN1PTPN11
SCHEMBL17612610 0.72 KDM4E (0.43) ALOX5HMGCRKDM4EPTPN1PTPN11
SCHEMBL13924206 0.71 ALOX5 (0.41) ALOX5KDM4EMAPTTP53GAA
SCHEMBL9027495 0.71 PTPN1 (0.50) ALOX5HMGCRKDM4EMAPTTP53
SCHEMBL9028266 0.70 KDM4E (0.36) ALOX5KDM4EMAPTGAAHTT
SCHEMBL9029445 0.69 ALOX5 (0.60) ALOX5KDM4EMAPTTP53GAA
SCHEMBL7734483 0.68 ALOX5 (0.32) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL27222273 0.68 KDM4E (0.39) ALOX5KDM4EMAPTTP53GAA
SCHEMBL9028770 0.68 RXRA (0.35) KDM4EMAPTTP53GAAHTT

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