SCHEMBL5377176

SCHEMBL5377176

CCOC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)nc1OCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 2/20 0.45
POLB P06746 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAP2K1 Q02750 2/20 0.44
KLKB1 P03952 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
KDM4E B2RXH2 2/20 0.41
MAOB P27338 1/20 0.41
PPARG P37231 1/20 0.41
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL5372048 0.93 MEN1 (0.51) ALDH1A1LMNAMEN1HSP90AA1KMT2A
SCHEMBL5385790 0.91 ALDH1A1 (0.54) ALDH1A1LMNAMEN1HSP90AA1KMT2A
SCHEMBL5386314 0.87 HRH3 (0.48) ALDH1A1KMT2AL3MBTL1KLKB1HRH3
SCHEMBL5377223 0.85 FFAR1 (0.51) ALDH1A1KDM4EPPARG
SCHEMBL5384802 0.84 ALDH1A1 (0.49) ALDH1A1LMNAKMT2ACYP1A2POLB
SCHEMBL3262512 0.84 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6035197 0.83 L3MBTL1 (0.49) ALDH1A1LMNAMEN1HSP90AA1KMT2A
SCHEMBL3074332 0.81 L3MBTL1 (0.47) ALDH1A1LMNAMEN1HSP90AA1KMT2A
SCHEMBL5376864 0.81 FFAR1 (0.55) MEN1HSP90AA1KMT2APPARG
SCHEMBL4851691 0.80 FFAR1 (0.54) MEN1HSP90AA1KMT2APPARG

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