SCHEMBL9028145

SCHEMBL9028145

C=C(C)Cc1c(O)cc(C(C)(C)C)c(OC(C)=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
VCAM1 P19320 10/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
ELANE P08246 1/20 0.32
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KDR P35968 1/20 0.31
PREP P48147 1/20 0.31
CELA1 Q9UNI1 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
SCHEMBL7524587 0.86 VCAM1 (0.33) KDM4EMAPTTP53HTTGAA
SCHEMBL9026764 0.83 KDM4E (0.39) KDM4EMAPTTP53HTTGAA
SCHEMBL9027573 0.79 KDM4E (0.34) KDM4EMAPTGAAALDH1A1ELANE
SCHEMBL8368654 0.74 KDM4E (0.40) KDM4EMAPTTP53HTTGAA
SCHEMBL11802197 0.73 POLB (0.35) KDM4EMAPTTP53HTTGAA
SCHEMBL6764396 0.73 MAPT (0.37) KDM4EMAPTTP53HTTGAA
SCHEMBL9027992 0.73 KDM4E (0.36) KDM4EMAPTHTTGAAHSD17B10
SCHEMBL7523149 0.72 KDM4E (0.35) KDM4EMAPTTP53HTTGAA
SCHEMBL8598096 0.72 IMPDH2 (0.35) KDM4EMAPTTP53HTTGAA
SCHEMBL7520741 0.72 KDM4E (0.39) KDM4EMAPTTP53HTTGAA

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