SCHEMBL3430892

SCHEMBL3430892

COc1ccc(C(F)(F)F)cc1-c1cc(CCC(=O)O)c2nc(C(C)(C)C)c(=O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.44
FFAR1 O14842 1/20 0.44
FFAR2 O15552 1/20 0.44
CTSA P10619 4/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
CYP2C9 P11712 2/20 0.40
PPARD Q03181 3/20 0.39
PPARA Q07869 2/20 0.39
PDE5A O76074 1/20 0.39
PDE9A O76083 1/20 0.39
CETP P11597 3/20 0.37
PPARG P37231 1/20 0.37
BRD4 O60885 1/20 0.37
CYP2C8 P10632 1/20 0.36
CACNA1C Q13936 1/20 0.36
SLCO1B1 Q9Y6L6 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
SCHEMBL3346289 0.88 PDE5A (0.40) FFAR4FFAR1FFAR2PTGDR2PPARD
SCHEMBL3346056 0.83 S1PR1 (0.41) FFAR1PDE5APDE9ACACNA1C
SCHEMBL3346903 0.77 GRIN2B (0.36) FFAR4PDE5APDE9A
SCHEMBL3431063 0.76 ALDH1A1 (0.39) FFAR4CYP2C9
SCHEMBL3346086 0.76 PTGER4 (0.44) CYP2C9
SCHEMBL3431683 0.75 RXRA (0.40) FFAR4FFAR1FFAR2PDE5APDE9A
SCHEMBL3347691 0.74 FFAR4 (0.40) FFAR4FFAR1PDE5A
SCHEMBL3431568 0.73 RXRA (0.44) FFAR4FFAR1PTGDR2PDE5APDE9A
SCHEMBL3431645 0.71 RXRA (0.43) FFAR4FFAR1PTGDR2PDE5APDE9A
SCHEMBL3431483 0.71 FFAR1 (0.43) FFAR4FFAR1CTSAPPARDPPARA

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