SCHEMBL5376691

SCHEMBL5376691

Cn1c(COc2ccc(Cn3cc(CCC(=O)O)c(-c4ccccc4)n3)cc2)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HDAC6 Q9UBN7 3/20 0.50
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX5 P09917 1/20 0.43
FFAR1 O14842 2/20 0.43
AKR1B1 P15121 1/20 0.43
PDE10A Q9Y233 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.41

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
SCHEMBL5374476 0.91 RAB9A (0.47) NPC1RAB9AHDAC6GAAHDAC1
SCHEMBL5385668 0.87 RAB9A (0.50) NPC1RAB9AHDAC6MAPTALOX5
SCHEMBL5377099 0.83 FFAR1 (0.56) GAAHDAC1HDAC7MAPTALDH1A1
SCHEMBL5393783 0.82 FFAR1 (0.66) ALOX5FFAR1AKR1B1PDE10A
SCHEMBL5377161 0.79 RAB9A (0.48) NPC1RAB9AHDAC6MAPTALOX5
SCHEMBL5383105 0.78 HDAC1 (0.48) GAAHDAC1HDAC7MAPTALDH1A1
SCHEMBL5379436 0.78 FFAR1 (0.58) GAAHDAC1HDAC7MAPTALDH1A1
SCHEMBL5381554 0.78 HDAC1 (0.46) NPC1RAB9AGAAHDAC1HDAC7
SCHEMBL5387534 0.78 FFAR1 (0.70) FFAR1
SCHEMBL5380982 0.78 GAA (0.50) GAAHDAC1HDAC7MAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed