SCHEMBL5383041

SCHEMBL5383041

CCOC(=O)CCc1cn(Cc2ccc(O)cc2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
FAAH O00519 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5381180 0.92 HDAC1 (0.52) HDAC1HDAC7ALDH1A1MAPTFAAH
SCHEMBL5382038 0.89 KMT2A (0.47) HDAC1HDAC7ALDH1A1MAPTFAAH
SCHEMBL5380613 0.89 ALDH1A1 (0.54) HDAC1HDAC7ALDH1A1MAPTFAAH
SCHEMBL5372385 0.89 HDAC1 (0.58) HDAC1HDAC7ALDH1A1MAPTSMN1; SMN2
SCHEMBL5374845 0.86 HDAC1 (0.47) HDAC1HDAC7ALDH1A1MAPTFAAH
SCHEMBL5371997 0.85 HDAC1 (0.49) HDAC1HDAC7ALDH1A1MAPTFAAH
SCHEMBL5374912 0.84 HDAC1 (0.44) HDAC1HDAC7ALDH1A1MAPTFAAH
SCHEMBL5378990 0.84 CYP4F2 (0.46) ALDH1A1CYP4F2CYP4A11GAAKDM4E
SCHEMBL5397024 0.84 HDAC1 (0.43) HDAC1HDAC7ALDH1A1MAPTFAAH
SCHEMBL5373797 0.83 ALDH1A1 (0.47) HDAC1HDAC7ALDH1A1MAPTFAAH

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 7 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
CN-1260227-C 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-06-21 CN 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
CN-1413207-A 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 CN 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