SCHEMBL9752725

SCHEMBL9752725

CCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCC)c1O.Cc1c(O)c(C(=O)CCC(C)C)c(O)c(C(=O)CCC(C)C)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.60
PLA2G2A P14555 2/20 0.57
PLA2G5 P39877 2/20 0.57
FFAR1 O14842 3/20 0.45
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CA1 P00915 2/20 0.35
HSD17B3 P37058 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9752842 0.87 FASN (0.75) FASNPLA2G2APLA2G5FFAR1ALDH1A1
SCHEMBL9752636 0.79 FASN (0.61) FASNPLA2G2APLA2G5FFAR1ALDH1A1
SCHEMBL28460836 0.77 FASN (0.67) FASNPLA2G2APLA2G5FFAR1ALDH1A1
SCHEMBL9752640 0.76 PLA2G2A (0.85) FASNPLA2G2APLA2G5FFAR1ALDH1A1
SCHEMBL29287608 0.75 FFAR1 (0.54) FASNPLA2G2APLA2G5FFAR1TRPA1
SCHEMBL9752745 0.74 PLA2G2A (0.96) FASNPLA2G2APLA2G5FFAR1ALDH1A1
SCHEMBL9752800 0.74 FFAR1 (0.62) FASNPLA2G2APLA2G5FFAR1ALDH1A1
SCHEMBL9752750 0.73 FFAR1 (0.67) FASNPLA2G2APLA2G5FFAR1TRPA1
SCHEMBL9752630 0.73 PLA2G2A (1.00) FASNPLA2G2APLA2G5FFAR1ALDH1A1
SCHEMBL9752639 0.73 PLA2G2A (1.00) FASNPLA2G2APLA2G5FFAR1ALDH1A1

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 claimed