SCHEMBL9028771

SCHEMBL9028771

C=CCOc1cc(C)cc(C)c1CC(=C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 5/20 0.33
PDE4B Q07343 1/20 0.33
TSHR P16473 3/20 0.33
GAA P10253 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HPGD P15428 6/20 0.32
HSD17B10 Q99714 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
LIG1 P18858 1/20 0.31
LMNA P02545 2/20 0.30
FLT3 P36888 1/20 0.30
SLC22A1 O15245 1/20 0.30
CYP1A2 P05177 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30

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
SCHEMBL9027947 0.76 KDM4E (0.33) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL659348 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HPGDNPSR1MAPK1
SCHEMBL2648567 0.75 KDM4E (0.40) KDM4EALDH1A1PDE4BTSHRGAA
SCHEMBL658931 0.72 MEN1 (0.39) KDM4EALDH1A1TSHRGAAPTGS1
SCHEMBL9028451 0.70 SELL (0.39) KDM4EALDH1A1GAAHPGDNPSR1
SCHEMBL12375200 0.70 MEN1 (0.42) KDM4EALDH1A1TSHRGAAPTGS1
SCHEMBL8161008 0.69 POLB (0.39) ALDH1A1GAAPTGS1PTGS2HPGD
SCHEMBL7816047 0.68 HPGD (0.51) ALDH1A1TSHRGAAHPGDHSD17B10
SCHEMBL8161827 0.68 SMN1; SMN2 (0.45) KDM4EALDH1A1TSHRGAAHPGD
SCHEMBL9027573 0.68 KDM4E (0.34) KDM4EALDH1A1PDE4BTSHRGAA

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