SCHEMBL9028634

SCHEMBL9028634

C=CCOc1cc(C)c(OC(C)=O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.36
GAA P10253 2/20 0.34
ACHE P22303 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
VCAM1 P19320 3/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESRRA P11474 1/20 0.32

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
SCHEMBL7523719 0.92 VCAM1 (0.38) ACHEMAPTTP53ADRB2ADRB1
SCHEMBL9028534 0.83 HSD17B10 (0.37) KAT6AGAAACHEALDH1A1HPGD
SCHEMBL6768542 0.81 BACE1 (0.42) GAAACHEALDH1A1HPGDMAPT
SCHEMBL8846639 0.81 SLC5A1 (0.34) ACHEMAPTTP53ADRB2ADRB1
SCHEMBL9028543 0.79 KDM4E (0.38) GAAACHEALDH1A1HPGDMAPT
SCHEMBL7729839 0.77 LIG1 (0.34) GAAACHEALDH1A1HPGDMAPT
SCHEMBL8368606 0.75 SLC5A1 (0.33) GAAALDH1A1MAPTHTTKDM4E
SCHEMBL9639084 0.74 CA2 (0.53) GAAALDH1A1HPGDMAPTHTT
SCHEMBL7525731 0.73 VCAM1 (0.39) ACHEALDH1A1VCAM1POLBSMN1; SMN2
SCHEMBL8600805 0.73 HTT (0.44) GAAALDH1A1HPGDMAPTHTT

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