SCHEMBL3347691

SCHEMBL3347691

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.40
DHODH Q02127 3/20 0.37
FFAR1 O14842 1/20 0.36
RORC P51449 3/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE2A O00408 1/20 0.35
PDE5A O76074 1/20 0.34
PTGS2 P35354 2/20 0.34
DRD1 P21728 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
DAO P14920 1/20 0.33
F7 P08709 1/20 0.33

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
SCHEMBL3346002 0.89 GRIN2D (0.41) FFAR4DHODHFFAR1GRIN1GRIN2B
SCHEMBL3346086 0.87 PTGER4 (0.44) DHODHGRIN1GRIN2BRXRARXRB
SCHEMBL3431483 0.86 FFAR1 (0.43) FFAR4DHODHFFAR1
SCHEMBL3353013 0.82 DHODH (0.45) FFAR4DHODHFFAR1GRIN1GRIN2B
SCHEMBL3430044 0.80 FFAR1 (0.48) FFAR4DHODHFFAR1
SCHEMBL3430749 0.80 GAA (0.43) FFAR4DHODHFFAR1GRIN1GRIN2B
SCHEMBL3346056 0.79 S1PR1 (0.41) FFAR1PDE5ARXRARXRB
SCHEMBL3346903 0.78 GRIN2B (0.36) FFAR4GRIN1GRIN2BPDE5A
SCHEMBL3431063 0.78 ALDH1A1 (0.39) FFAR4
SCHEMBL3346362 0.77 DHODH (0.39) DHODHGRIN1GRIN2B

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 disclosed