SCHEMBL28048301

SCHEMBL28048301

CCCCCCCCCCCCCC(CC)OC(CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G5 P39877 1/20 0.39
PRSS1 P07477 3/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CSNK1E P49674 1/20 0.34
ALDH1A1 P00352 1/20 0.34
DUT P33316 1/20 0.34
CTSG P08311 2/20 0.33
CTRB1 P17538 2/20 0.33
CMA1 P23946 2/20 0.33
TK1 P04183 2/20 0.33
KIF11 P52732 1/20 0.32
LMNA P02545 1/20 0.32
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL8349918 0.88 ALDH1A1 (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5PRSS1
SCHEMBL10796999 0.81 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5PRSS1
SCHEMBL10933731 0.81 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5PRSS1
SCHEMBL8350184 0.81 PLA2G2A (0.53) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL8353837 0.81 PLA2G2A (0.53) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL8195323 0.81 PLA2G2A (0.53) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL8356181 0.81 PLA2G2A (0.53) PLA2G2APLA2G10PLA2G1BPLA2G5ALDH1A1
SCHEMBL10796866 0.80 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5PRSS1
SCHEMBL10796580 0.80 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5PRSS1
SCHEMBL4068257 0.80 PRKCA (0.53) ALDH1A1LMNA

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
CN-102040621-B Lipid oxide and the application in treatment inflammatory diseases thereof CANALIS-HAEMALIS BIOGROWTH LTD. (IL) 2016-01-20 CN disclosed