SCHEMBL9752750

SCHEMBL9752750

CC(C)CCC(=O)c1c(O)cc(O)c(C(=O)CCC(C)C)c1O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.67
PLA2G2A P14555 1/20 0.56
PLA2G5 P39877 1/20 0.56
PTGES O14684 2/20 0.45
ALOX5 P09917 2/20 0.45
FBP1 P09467 1/20 0.43
TRPA1 O75762 1/20 0.42
FASN P49327 1/20 0.41
CA1 P00915 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
PTGS1 P23219 1/20 0.38
DRD3 P35462 1/20 0.38
PAK1 Q13153 1/20 0.38
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37

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
SCHEMBL31040527 0.93 FFAR1 (0.59) FFAR1PLA2G2APLA2G5PTGESALOX5
SCHEMBL31040526 0.93 FFAR1 (0.59) FFAR1PLA2G2APLA2G5PTGESALOX5
SCHEMBL31040534 0.93 FFAR1 (0.59) FFAR1PLA2G2APLA2G5PTGESALOX5
SCHEMBL10912784 0.90 FFAR1 (0.56) FFAR1PLA2G2APLA2G5PTGESALOX5
SCHEMBL29287608 0.90 FFAR1 (0.54) FFAR1PLA2G2APLA2G5PTGESALOX5
SCHEMBL10910847 0.89 FFAR1 (0.54) FFAR1PLA2G2APLA2G5PTGESALOX5
SCHEMBL31040537 0.85 FFAR1 (0.50) FFAR1PLA2G2APLA2G5PTGESALOX5
SCHEMBL9752733 0.85 MEN1 (0.57) FFAR1MEN1KMT2ACYP3A4PTGS1
SCHEMBL31580496 0.80 FFAR1 (1.00) FFAR1PLA2G2APLA2G5PTGESALOX5
SCHEMBL10910891 0.80 FFAR1 (0.44) FFAR1PLA2G2APLA2G5PTGESALOX5

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