SCHEMBL3346056

SCHEMBL3346056

CC(C)(C)c1nc2c(CCC(=O)O)cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
RXRA P19793 8/20 0.39
RXRB P28702 8/20 0.39
RXRG P48443 8/20 0.39
PDE5A O76074 1/20 0.38
PDE9A O76083 1/20 0.38
GPR17 Q13304 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CACNA1B Q00975 4/20 0.34
CACNA1C Q13936 3/20 0.33
CACNA1H O95180 2/20 0.33
CTSK P43235 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
FFAR1 O14842 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
SCHEMBL3346289 0.85 PDE5A (0.40) PDE5APDE9AFFAR1
SCHEMBL3346903 0.84 GRIN2B (0.36) PDE5APDE9ANR1H4
SCHEMBL3431063 0.84 ALDH1A1 (0.39) GPR17
SCHEMBL3430892 0.83 FFAR4 (0.44) PDE5APDE9ACACNA1CFFAR1
SCHEMBL3346086 0.83 PTGER4 (0.44) RXRARXRBRXRGGPR17
SCHEMBL3347691 0.79 FFAR4 (0.40) RXRARXRBPDE5AFFAR1
SCHEMBL3431568 0.76 RXRA (0.44) RXRARXRBRXRGPDE5APDE9A
SCHEMBL3431483 0.76 FFAR1 (0.43) FFAR1
SCHEMBL3431645 0.75 RXRA (0.43) RXRARXRBRXRGPDE5APDE9A
SCHEMBL3431683 0.73 RXRA (0.40) RXRARXRBRXRGPDE5APDE9A

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