SCHEMBL9029445

SCHEMBL9029445

CCCc1cc(OC(C)=O)cc(CCC)c1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.60
BACE1 P56817 2/20 0.46
PTPN1 P18031 3/20 0.44
PTPN11 Q06124 2/20 0.44
PTPN2 P17706 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
LMNA P02545 4/20 0.40
MAPT P10636 3/20 0.40
CYP3A4 P08684 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL9027495 0.87 PTPN1 (0.50) ALOX5BACE1PTPN1PTPN11PTPN2
SCHEMBL9028753 0.84 ALOX5 (0.47) ALOX5BACE1PTPN1PTPN11PTPN2
SCHEMBL28002757 0.80 PTPN1 (0.51) ALOX5PTPN1PTPN11PTPN2CYP4F2
SCHEMBL28898703 0.77 KDM4E (0.51) ALOX5BACE1LMNAMAPTCYP3A4
SCHEMBL13459450 0.77 ACHE (0.54) ALOX5LMNAMAPTCYP3A4KDM4E
SCHEMBL28898701 0.76 ALOX5 (0.48) ALOX5BACE1CYP4F2CYP4A11LMNA
SCHEMBL29113872 0.75 ALOX5 (0.55) ALOX5BACE1LMNACYP3A4PPARG
SCHEMBL4015738 0.75 ALOX5 (0.42) ALOX5BACE1PTPN1PTPN11PTPN2
SCHEMBL27803184 0.74 ALOX5 (0.41) ALOX5BACE1PTPN1PTPN11PTPN2
SCHEMBL13924206 0.74 ALOX5 (0.41) ALOX5BACE1LMNAMAPTKDM4E

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