SCHEMBL6970205

SCHEMBL6970205

Cc1oc(-c2ccccc2)nc1COc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.61
PPARG P37231 16/20 0.51
PPARA Q07869 16/20 0.51
PPARD Q03181 1/20 0.50
FFAR1 O14842 1/20 0.48
KDR P35968 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6970427 0.89 PPARG (0.64) PPARGPPARAPPARD
SCHEMBL4035264 0.81 FFAR1 (0.51) PPARGPPARAFFAR1KDRKDM4E
SCHEMBL6968832 0.80 PPARG (0.53) PPARGPPARAFFAR1KDRKDM4E
SCHEMBL7163382 0.80 KDR (0.52) PPARGPPARAFFAR1KDRKDM4E
SCHEMBL9721971 0.80 KDR (0.64) PPARGPPARAFFAR1KDR
SCHEMBL6587568 0.80 S1PR4 (0.49) PPARGPPARAPPARDFFAR1KDR
SCHEMBL6967037 0.79 KDR (0.53) PPARGPPARAFFAR1KDR
SCHEMBL4031358 0.78 PPARG (0.56) PPARGPPARAFFAR1KDR
SCHEMBL4034034 0.78 KDR (0.65) PPARGPPARAFFAR1KDR
SCHEMBL6968435 0.78 PPARG (0.48) PPARGPPARAFFAR1KDRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629624-B1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 EP disclosed
US-6552058-B1 For therapy of diabetes or hyperlipidemia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
US-6147099-A USEFUL AS ANTI-DIABETICS OR HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2000-11-14 US disclosed
EP-0605228-B1 Thiazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-03-01 EP disclosed
US-5972970-A COMPOUNDS SUCH AS 5-(3-(2-(2-(5-METHYL-2-PHENYL-4-OXAZOLYL) ETHOXYL-5-PYRIDYL)PROPYL)-2,4-OXAZOLIDINEDIONE; ADMINISTERING TO TREAT A MAMMAL SUFFERING FROM DIABETES OR HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0612743-B1 Oxazolidinedione derivatives, their production and use in lowering blood sugar and lipid levels TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-10 EP disclosed
US-5665748-A ANTIDIABETIC, HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-09 US disclosed
US-5591862-A ANTILIPEMICS, TREATING DIABETES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
US-5489602-A HYPOGLYCEMIC AND HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-06 US disclosed
EP-0629624-A1 Tetrazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-21 EP disclosed
EP-0612743-A1 Oxazolidinedione derivatives, their production and use in lowering blood sugar and lipid levels TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-31 EP disclosed
EP-0605228-A1 Thiazolidinedione derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-07-06 EP disclosed