SCHEMBL9752640

SCHEMBL9752640

CCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCC)c1O

nearest known ligand 0.85

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.85
PLA2G5 P39877 2/20 0.85
FASN P49327 2/20 0.59
FFAR1 O14842 2/20 0.55
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B3 P37058 1/20 0.46
LMNA P02545 2/20 0.43
ELANE P08246 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR7 P34969 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
SCHEMBL9752745 0.94 PLA2G2A (0.96) PLA2G2APLA2G5FASNFFAR1HTT
SCHEMBL9752639 0.92 PLA2G2A (1.00) PLA2G2APLA2G5FASNFFAR1HTT
SCHEMBL9752731 0.92 PLA2G2A (1.00) PLA2G2APLA2G5FASNFFAR1HTT
SCHEMBL9752630 0.92 PLA2G2A (1.00) PLA2G2APLA2G5FASNFFAR1HTT
SCHEMBL9752842 0.87 FASN (0.75) PLA2G2APLA2G5FASNFFAR1HTT
SCHEMBL9752847 0.82 PLA2G2A (0.59) PLA2G2APLA2G5FASNFFAR1HTT
SCHEMBL29029841 0.80 PLA2G2A (0.70) PLA2G2APLA2G5FASNFFAR1HTT
SCHEMBL9752580 0.78 PLA2G2A (0.59) PLA2G2APLA2G5FASNFFAR1ALDH1A1
SCHEMBL9752830 0.78 PLA2G2A (0.86) PLA2G2APLA2G5FASNFFAR1HTT
SCHEMBL9752636 0.77 FASN (0.61) PLA2G2APLA2G5FASNFFAR1HTT

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