SCHEMBL5074015

SCHEMBL5074015

CCCCCC(CCC)NC(O)=S.NC(O)=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 2/20 0.39
OPRM1 P35372 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
DPP7 Q9UHL4 2/20 0.33
PLA2G10 O15496 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
GRIK1 P39086 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GRIK2 Q13002 1/20 0.33
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32
LAP3 P28838 1/20 0.32
LCK P06239 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
SCHEMBL8813135 0.96 PLA2G2C (0.41) PLA2G2CGPR84SPHK1FFAR1PLA2G10
SCHEMBL28355491 0.92 PLA2G2C (0.45) PLA2G2CGPR84FFAR1PLA2G10MAPT
SCHEMBL8601541 0.89 PLA2G2C (0.36) PLA2G2COPRM1GPR84SPHK1FFAR1
SCHEMBL16931574 0.87 PLA2G2C (0.35) PLA2G2COPRM1GPR84SPHK1FFAR1
SCHEMBL16931565 0.87 PLA2G2C (0.35) PLA2G2COPRM1GPR84SPHK1FFAR1
SCHEMBL11805431 0.83 PLA2G2C (0.40) PLA2G2COPRM1GPR84SPHK1MAPT
SCHEMBL1304699 0.81 TAS1R3 (0.35) TAS1R3TAS1R1
SCHEMBL3894538 0.80 CA1 (0.36) PLA2G2COPRM1GPR84SPHK1DPP7
SCHEMBL28109110 0.79 PLA2G2C (0.42) PLA2G2COPRM1GPR84SPHK1MAPT
SCHEMBL28109117 0.79 PLA2G2C (0.42) PLA2G2COPRM1GPR84SPHK1MAPT

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
EP-1388532-B1 Method for production of acrylic acid NIPPON CATALYTIC CHEM IND (JP) 2008-06-18 EP disclosed