SCHEMBL9752639

SCHEMBL9752639

CCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCC)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 1.00
PLA2G5 P39877 2/20 1.00
FFAR1 O14842 1/20 0.66
FASN P49327 1/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
ELANE P08246 2/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B3 P37058 5/20 0.49
PTGES O14684 1/20 0.48

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
SCHEMBL9752731 1.00 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1FASNMEN1
SCHEMBL9752630 1.00 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1FASNMEN1
SCHEMBL9752745 0.98 PLA2G2A (0.96) PLA2G2APLA2G5FFAR1FASNMEN1
SCHEMBL9752640 0.92 PLA2G2A (0.85) PLA2G2APLA2G5FFAR1FASNMEN1
SCHEMBL9752842 0.84 FASN (0.75) PLA2G2APLA2G5FFAR1FASNMEN1
SCHEMBL11068812 0.81 PLA2G2A (0.68) PLA2G2APLA2G5FFAR1FASNMEN1
Didodecanoylphloroglucinol SCHEMBL9188500 0.79 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1ALDH1A1
SCHEMBL9752843 0.79 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1ALDH1A1
SCHEMBL14924223 0.79 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1ALDH1A1
SCHEMBL9752712 0.79 PLA2G2A (1.00) PLA2G2APLA2G5FFAR1MEN1ALDH1A1

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