SCHEMBL3402991

SCHEMBL3402991

C#CCCCC1OC(=O)C1CCCCCCCC(O)=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYPLA1 O75608 6/20 0.51
LYPLA2 O95372 6/20 0.51
DAGLA Q9Y4D2 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLA2G6 O60733 2/20 0.36
PLA2G4A P47712 1/20 0.36
PNLIP P16233 1/20 0.35
PRKCA P17252 3/20 0.34
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32

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
SCHEMBL12370961 0.77 LYPLA1 (0.59) LYPLA1LYPLA2DAGLAPLA2G6PLA2G4A
SCHEMBL12370966 0.77 LYPLA1 (0.52) LYPLA1LYPLA2DAGLAPLA2G6PLA2G4A
SCHEMBL3409872 0.70 LYPLA1 (0.47) LYPLA1LYPLA2DAGLAMAPTPLA2G6
SCHEMBL10555179 0.67 LYPLA1 (0.50) LYPLA1LYPLA2DAGLACYP1A2CYP2D6
SCHEMBL716047 0.67 PRKCA (0.43) DAGLAPRKCAPRKD3PRKCGPRKCB
SCHEMBL8076103 0.67 CYP1A2 (0.69) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL716045 0.67 PRKCA (0.43) DAGLAPRKCAPRKD3PRKCGPRKCB
SCHEMBL1480323 0.66
SCHEMBL19514925 0.66 DAGLA (0.59) LYPLA1LYPLA2DAGLAPLA2G6PLA2G4A
SCHEMBL19514924 0.66 DAGLA (0.59) LYPLA1LYPLA2DAGLAPLA2G6PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254574-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS Ludwig-Maximilians-Universität München (DE) 2010-12-01 EP disclosed
WO-2009106211-A1 BETA-LACTONES AS ANTIBACTERIAL AGENTS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2009-09-03 WO disclosed