SCHEMBL9752800

SCHEMBL9752800

Cc1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.62
PLA2G2A P14555 1/20 0.48
PLA2G5 P39877 1/20 0.48
FASN P49327 1/20 0.43
BCL2L1 Q07817 1/20 0.41
PTGES O14684 3/20 0.40
ALOX5 P09917 3/20 0.40
FBP1 P09467 1/20 0.40
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GRM2 Q14416 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36

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
Grandinol SCHEMBL31348060 0.84 FFAR1 (0.47) FFAR1PLA2G2APLA2G5FASNBCL2L1
Rhodomyrtoxin SCHEMBL12210330 0.80 FBP1 (0.49) FFAR1PLA2G2APLA2G5FASNBCL2L1
SCHEMBL29287621 0.79 FFAR1 (0.79) FFAR1PLA2G2APLA2G5FASNBCL2L1
SCHEMBL504402 0.79 MEN1 (0.55) FFAR1PLA2G2APLA2G5FASNBCL2L1
SCHEMBL31580496 0.77 FFAR1 (1.00) FFAR1PLA2G2APLA2G5BCL2L1PTGES
SCHEMBL14645012 0.76 FBP1 (0.46) FFAR1PLA2G2APLA2G5BCL2L1FBP1
SCHEMBL31580177 0.76 FFAR1 (0.55) FFAR1PTGESALOX5HIF1AEPAS1
SCHEMBL9752580 0.75 PLA2G2A (0.59) FFAR1PLA2G2APLA2G5FASNALDH1A1
SCHEMBL29664009 0.74 CYP3A4 (0.61) FFAR1FASNTDP1GRM2
Jensenone SCHEMBL29361936 0.74 FFAR1 (0.52) FFAR1BCL2L1PTGESALOX5FBP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991009595-A1 ANTI-VIRAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 1991-07-11 WO disclosed