SCHEMBL9028103

SCHEMBL9028103

C=C(C)COc1cc(C)cc(CCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
TRPA1 O75762 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
SLC6A2 P23975 1/20 0.35
OPRM1 P35372 1/20 0.35
GPR6 P46095 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NAAA Q02083 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL16952389 0.79 NQO1 (0.39) CNR1CNR2TSHRCYP3A4
SCHEMBL9028852 0.77 PPARA (0.57) MEN1KMT2ACNR1CNR2PPARG
SCHEMBL4661089 0.76 ALDH1A1 (0.51) MEN1KMT2AALDH1A1POLBTRPM8
SCHEMBL16952952 0.76 CNR1 (0.43) CNR1CNR2
SCHEMBL16956859 0.73 LMNA (0.47) MEN1KMT2AALDH1A1HSD17B10MAPK1
SCHEMBL13369436 0.73 PTGS2 (0.49) ALDH1A1CYP1A1PTGS2CYP3A4
SCHEMBL9028094 0.72 KDM4E (0.47) MEN1KMT2ACYP2C19ALDH1A1POLB
SCHEMBL7219373 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1POLBTRPM8
SCHEMBL16962402 0.70 FFAR4 (0.44) CNR1CNR2CYP2C19ALDH1A1TRPA1
SCHEMBL597287 0.70 FFAR4 (0.44) CNR1CNR2ALDH1A1MAPK1TSHR

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