SCHEMBL3346086

SCHEMBL3346086

CC(C)(C)c1nc2c(CCC(=O)O)cc(-c3cccc(-c4ccccc4)c3)cc2[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER1 P34995 1/20 0.44
PTGER2 P43116 1/20 0.44
GPR17 Q13304 2/20 0.39
DHODH Q02127 6/20 0.38
PARP1 P09874 3/20 0.37
PARP2 Q9UGN5 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
PRKAG1 P54619 2/20 0.36

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
SCHEMBL3347691 0.87 FFAR4 (0.40) DHODHGRIN1GRIN2BRXRARXRB
SCHEMBL3346056 0.83 S1PR1 (0.41) GPR17RXRARXRBRXRG
SCHEMBL3346903 0.82 GRIN2B (0.36) PARP1GRIN1GRIN2B
SCHEMBL3431483 0.81 FFAR1 (0.43) DHODH
SCHEMBL3430749 0.80 GAA (0.43) DHODHKDM4EGRIN2DGRIN3BGRIN1
SCHEMBL3353013 0.77 DHODH (0.45) DHODHGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3430892 0.76 FFAR4 (0.44) CYP2C9
SCHEMBL3430044 0.75 FFAR1 (0.48) DHODHPARP1PARP2
SCHEMBL3346362 0.72 DHODH (0.39) DHODHKDM4EGRIN1GRIN2B
SCHEMBL3431568 0.72 RXRA (0.44) PARP1GRIN1GRIN2BRXRARXRB

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-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO claimed