SCHEMBL5372007

SCHEMBL5372007

Cc1sc(-c2ccccc2)nc1COc1ccc(Cn2cc(CC(=O)O)c(-c3ccccc3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CD274 Q9NZQ7 8/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.38
POLB P06746 1/20 0.38
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
PDCD1 Q15116 1/20 0.36

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
SCHEMBL5373778 0.84 PPARG (0.49) KDM4E
SCHEMBL7545730 0.83 KLKB1 (0.42) KLKB1CD274RARARARBRARG
SCHEMBL5381674 0.82 RAB9A (0.42) KLKB1KDM4EALDH1A1
SCHEMBL5397032 0.81 FFAR1 (0.37) KDM4ECD274PTGDR2PDCD1
SCHEMBL4038470 0.80 CFD (0.44) KLKB1KDM4ECD274PDCD1
SCHEMBL5372545 0.79 PPARG (0.41) KLKB1KDM4E
SCHEMBL5371972 0.78 PPARG (0.59)
SCHEMBL4038147 0.76 CD274 (0.45) CD274PDCD1
SCHEMBL5382403 0.76 FFAR1 (0.57)
SCHEMBL5376618 0.74 HDAC1 (0.42) KLKB1KDM4EALDH1A1CD274HDAC1

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