SCHEMBL9028753

SCHEMBL9028753

C=C(C)COc1cc(CCC)c(OC(C)=O)c(CCC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
ALDH1A1 P00352 4/20 0.39
PKM P14618 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR174 Q9BXC1 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 2/20 0.36
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
BACE1 P56817 1/20 0.35
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
PTPN11 Q06124 1/20 0.35
PPARG P37231 3/20 0.33

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
SCHEMBL9029445 0.84 ALOX5 (0.60) ALOX5ALDH1A1PKMKMT2AMEN1
SCHEMBL9028786 0.80 ALOX5 (0.37) ALOX5ALDH1A1PKMKMT2AMEN1
SCHEMBL9027495 0.76 PTPN1 (0.50) ALOX5KDM4EHSD17B10BACE1PTPN1
SCHEMBL7525731 0.75 VCAM1 (0.39) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL9028742 0.75 THRB (0.40) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL9028534 0.70 HSD17B10 (0.37) ALDH1A1L3MBTL1GPR174KDM4EHPGD
SCHEMBL19523892 0.69 KMT2A (0.43) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL6711093 0.69 KMT2A (0.43) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL7734483 0.68 ALOX5 (0.32) ALOX5ALDH1A1KDM4EHPGDMAPT
SCHEMBL9028103 0.68 MEN1 (0.35) ALDH1A1PKMKMT2AMEN1POLB

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