SCHEMBL9028982

SCHEMBL9028982

C=CCc1ccc(C(C)C)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.49
PTGS1 P23219 2/20 0.48
TRPA1 O75762 1/20 0.48
CACNA1C Q13936 1/20 0.48
TYR P14679 2/20 0.47
GABRA1 P14867 5/20 0.46
GABRB2 P47870 5/20 0.46
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
ALOX12 P18054 2/20 0.43
HTT P42858 2/20 0.43
HIF1A Q16665 1/20 0.43
RNASEH1 O60930 1/20 0.41
POLB P06746 2/20 0.40
SRD5A1 P18405 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL4314977 0.87 TYR (0.46) XDHPTGS1TRPA1CACNA1CTYR
SCHEMBL9816379 0.86 GABRA1 (0.59) XDHPTGS1TRPA1CACNA1CTYR
SCHEMBL873331 0.80 LMNA (0.42) XDHPTGS1TRPA1CACNA1CTYR
SCHEMBL17120814 0.79 TRPA1 (0.53) PTGS1TRPA1CACNA1CTYRGABRA1
SCHEMBL1297588 0.79 TRPA1 (0.57) PTGS1TRPA1CACNA1CTYRGABRA1
SCHEMBL4109681 0.77 TRPA1 (0.55) PTGS1TRPA1CACNA1CTYRGABRA1
SCHEMBL4107540 0.76 LMNA (0.47) XDHPTGS1TRPA1CACNA1CTYR
SCHEMBL25893405 0.76 PPARG (0.36) XDHPTGS1TRPA1CACNA1CTYR
SCHEMBL11109370 0.76 GABRA1 (0.54) XDHPTGS1TRPA1GABRA1GABRB2
SCHEMBL1003895 0.76 GABRA1 (0.50) XDHPTGS1TRPA1GABRA1GABRB2

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