SCHEMBL9027992

SCHEMBL9027992

C=CCc1c(OCC(=C)C)cc(C(C)(C)C)c(OC(C)=O)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
SRD5A1 P18405 1/20 0.35
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
ALOX5 P09917 2/20 0.32
ALOX12 P18054 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
NPC1 O15118 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
SCHEMBL9028002 0.83 KDM4E (0.37) KDM4EMEN1KMT2APTGS1SRD5A1
SCHEMBL9027573 0.83 KDM4E (0.34) KDM4EPTGS1ALDH1A1TSHRMAPT
SCHEMBL9026764 0.82 KDM4E (0.39) KDM4EMEN1KMT2APTGS1SRD5A1
SCHEMBL7734483 0.77 ALOX5 (0.32) KDM4EALDH1A1MAPTHPGDALOX5
SCHEMBL8369415 0.75 PTGS1 (0.46) KDM4EMEN1KMT2APTGS1SRD5A1
SCHEMBL7525731 0.74 VCAM1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL9028145 0.73 KDM4E (0.35) KDM4EALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL9028534 0.73 HSD17B10 (0.37) KDM4EALDH1A1LMNAHSD17B10MAPT
SCHEMBL7729839 0.72 LIG1 (0.34) KDM4EMEN1KMT2APTGS1ALDH1A1
SCHEMBL7520741 0.72 KDM4E (0.39) KDM4EMEN1KMT2APTGS1SRD5A1

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