SCHEMBL3352922

SCHEMBL3352922

CC(C)c1nc2c(CCC(=O)O)cc(-c3ccc(OC(F)(F)F)cc3)cc2[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
FFAR4 Q5NUL3 4/20 0.38
FFAR1 O14842 3/20 0.38
PPARD Q03181 2/20 0.37
IDH1 O75874 2/20 0.36
PDE2A O00408 2/20 0.36
PTGES O14684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CACNA1C Q13936 1/20 0.36
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GRK6 P43250 1/20 0.36
GCGR P47871 2/20 0.36
PTGER4 P35408 1/20 0.35
DHODH Q02127 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL3428421 0.89 PPARD (0.39) GSK3BPPARDPDE2APTGESPIM1
SCHEMBL3430772 0.85 KDM4E (0.38) GSK3BPTGES
SCHEMBL3352967 0.83 NR1D1 (0.40) GSK3BPTGESPIM1PIM2
SCHEMBL3430623 0.83 FFAR1 (0.43) FFAR4FFAR1PPARDIDH1CYP2C9
SCHEMBL3430044 0.78 FFAR1 (0.48) FFAR4FFAR1PIM1PIM2GCGR
SCHEMBL3430136 0.76 DHODH (0.39) PIM1PIM2DHODH
SCHEMBL13580508 0.74 FFAR4 (0.47) FFAR4FFAR1PPARDCYP2C9CACNA1C
SCHEMBL3349649 0.73 FFAR1 (0.45) FFAR4FFAR1PIM1PIM2GCGR
SCHEMBL3431483 0.71 FFAR1 (0.43) FFAR4FFAR1PPARDPIM1PIM2
SCHEMBL12952588 0.71 FFAR4 (0.49) FFAR4FFAR1PPARDCYP2C9CACNA1C

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