SCHEMBL6691737

SCHEMBL6691737

CNC(=O)C(NCc1ccc(OCc2ccc(SC(F)(F)F)cc2)c(C)c1)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.42
PDCD1 Q15116 2/20 0.42
PPARA Q07869 8/20 0.41
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 1/20 0.41
PTPRZ1 P23471 1/20 0.39
PPARD Q03181 1/20 0.38

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
SCHEMBL6691739 1.00 CD274 (0.42) CD274PDCD1PPARAFFAR4FFAR1
SCHEMBL6706928 0.87 PDCD1 (0.51) CD274PDCD1PTPRZ1
SCHEMBL6693847 0.85 PTPRZ1 (0.54) CD274PDCD1PTPRZ1
SCHEMBL6693852 0.85 PTPRZ1 (0.54) CD274PDCD1PTPRZ1
SCHEMBL6685864 0.82 MAOB (0.46) CD274PPARAFFAR4FFAR1PTPRZ1
SCHEMBL6685862 0.82 MAOB (0.46) CD274PPARAFFAR4FFAR1PTPRZ1
SCHEMBL6688301 0.80 PTPRZ1 (0.43) CD274PDCD1PPARAPTPRZ1PPARD
SCHEMBL6688302 0.80 PTPRZ1 (0.43) CD274PDCD1PPARAPTPRZ1PPARD
SCHEMBL6685304 0.80 CD274 (0.42) CD274PPARAFFAR4FFAR1PTPRZ1
SCHEMBL6685310 0.80 CD274 (0.42) CD274PPARAFFAR4FFAR1PTPRZ1

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-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed