SCHEMBL9028534

SCHEMBL9028534

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
PTPRB P23467 1/20 0.37
KAT6A Q92794 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 2/20 0.35
GPR174 Q9BXC1 1/20 0.35
OGG1 O15527 1/20 0.34
VCAM1 P19320 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ESRRA P11474 1/20 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
SCHEMBL7525731 0.92 VCAM1 (0.39) GPR174VCAM1L3MBTL1ALDH1A1ACHE
SCHEMBL9028634 0.83 KAT6A (0.36) HSD17B10HPGDKAT6AHTTKDM4E
SCHEMBL6768542 0.82 BACE1 (0.42) HSD17B10HPGDHTTKDM4ETP53
SCHEMBL9028277 0.79 CYP2C9 (0.47) HSD17B10HPGDPTPRBKAT6AHTT
SCHEMBL9028543 0.77 KDM4E (0.38) HSD17B10HPGDHTTKDM4ETP53
SCHEMBL7523719 0.73 VCAM1 (0.38) TP53MAPTVCAM1NPC1LMNA
SCHEMBL6764077 0.73 HTT (0.45) HSD17B10HPGDHTTKDM4ETP53
SCHEMBL9027992 0.73 KDM4E (0.36) HSD17B10HPGDHTTKDM4EGAA
SCHEMBL7734483 0.73 ALOX5 (0.32) HPGDKDM4EMAPTALDH1A1
SCHEMBL6308039 0.72 BACE1 (0.47) KDM4ETP53MAPTVCAM1ESRRA

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