SCHEMBL8367446

SCHEMBL8367446

CCCCc1ccc(C(=O)Nc2ccc3c(c2)C(NC)CC3)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 0.48
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
ACHE P22303 2/20 0.41
NR1H4 Q96RI1 1/20 0.40
ABCB1 P08183 1/20 0.39
FLT3 P36888 1/20 0.39
MELK Q14680 1/20 0.39
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL8516665 0.83 HCRTR1 (0.46) KCNA5PPARGPPARAMEN1NPC1
SCHEMBL8369053 0.82 NR1H4 (0.53) KCNA5PPARGPPARAMEN1NPC1
SCHEMBL8369813 0.72 DHODH (0.44) KCNA5PPARGPPARAMEN1NPC1
SCHEMBL8516703 0.70 PPARG (0.45) PPARGPPARAMEN1NPC1RAB9A
SCHEMBL7801348 0.69 PPARG (0.68) PPARGPPARANPC1RAB9A
SCHEMBL8517477 0.69 PPARG (0.43) PPARGPPARAMEN1RAB9AKMT2A
SCHEMBL7799996 0.68 PPARA (0.89) PPARGPPARANPC1RAB9A
SCHEMBL22109001 0.67 PPARG (0.56) PPARGPPARAMEN1NPC1RAB9A
SCHEMBL8369877 0.66 RAB9A (0.44) KCNA5MEN1NPC1RAB9AKMT2A
SCHEMBL16088691 0.65 KMT2A (0.61) PPARGPPARAMEN1NPC1RAB9A

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-1999052857-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 1999-10-21 WO disclosed