SCHEMBL3430623

SCHEMBL3430623

O=C(O)CCc1cc(-c2ccc(OC(F)(F)F)cc2)cc2[nH]c(=O)c(Cc3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.43
FFAR4 Q5NUL3 4/20 0.43
PLA2G4A P47712 2/20 0.41
IDH1 O75874 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHODH Q02127 2/20 0.38
SERPINE1 P05121 1/20 0.38
CYP2C9 P11712 1/20 0.37
CACNA1C Q13936 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PPARD Q03181 1/20 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
SCHEMBL3352922 0.83 GSK3B (0.38) FFAR1FFAR4IDH1DHODHCYP2C9
SCHEMBL3430044 0.77 FFAR1 (0.48) FFAR1FFAR4DHODH
SCHEMBL3349649 0.76 FFAR1 (0.45) FFAR1FFAR4HPGDHTTDHODH
SCHEMBL3431395 0.73 HTT (0.56) KDM4EALDH1A1GAAHPGDHTT
SCHEMBL3428421 0.73 PPARD (0.39) PPARD
SCHEMBL3431483 0.71 FFAR1 (0.43) FFAR1FFAR4DHODHPPARD
SCHEMBL2534776 0.70 FFAR1 (0.56) FFAR1FFAR4PLA2G4APTGER4PTGER3
SCHEMBL3346086 0.70 PTGER4 (0.44) KDM4EDHODHCYP2C9PTGER4PTGER3
SCHEMBL3350676 0.70 DHODH (0.43) FFAR1FFAR4KDM4EDHODHPTGER4
SCHEMBL3859024 0.70 FFAR4 (0.51) FFAR1FFAR4PLA2G4ACYP2C9CACNA1C

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