SCHEMBL9028852

SCHEMBL9028852

C=C(C)COc1cccc(CCC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.57
PPARG P37231 3/20 0.57
ALOX5 P09917 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
PTGIR P43119 1/20 0.44
CYP2D6 P10635 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PLA2G4B P0C869 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL22703735 0.84 PPARA (0.61) PPARAPPARGALOX5PTGIRCYP2D6
SCHEMBL10256292 0.83 TSHR (0.48) PPARAPPARGCYP4F2CYP4A11MEN1
SCHEMBL9622079 0.82 LMNA (0.52) PPARAPPARGMTNR1AMTNR1BMEN1
SCHEMBL10265691 0.82 PPARA (0.44) PPARAPPARGCYP4F2CYP4A11MEN1
SCHEMBL10256572 0.81 IDO1 (0.44) PPARAPPARGCYP4F2CYP4A11MEN1
SCHEMBL4661089 0.80 ALDH1A1 (0.51) MEN1ALDH1A1POLBPKMKMT2A
SCHEMBL5169461 0.80 PPARA (0.48) PPARAPPARGALOX5CYP4F2CYP4A11
SCHEMBL427612 0.79 CHRM2 (0.58) PPARAPPARGCYP4F2CYP4A11CYP2D6
SCHEMBL765936 0.78 PPARA (0.61) PPARAPPARGCYP2D6MEN1ALDH1A1
SCHEMBL9028103 0.77 MEN1 (0.35) PPARAPPARGCYP2D6CNR1CNR2

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