SCHEMBL6609974

SCHEMBL6609974

CCCc1nnc(CC(Nc2ccccc2C(=O)c2ccccc2)c2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)s1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.65
PPARA Q07869 4/20 0.65
PPARD Q03181 1/20 0.65

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
SCHEMBL6608390 0.93 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL6611676 0.91 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL6609969 0.89 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL6611004 0.88 PPARG (0.67) PPARGPPARAPPARD
SCHEMBL6611985 0.87 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL6608996 0.86 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL6611075 0.86 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL6612058 0.85 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL6613215 0.85 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL4396945 0.85 PPARG (0.72) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210345-B1 OXAZOLE PPAR ANTAGONISTS GLAXO GROUP LTD (GB) 2004-03-03 EP claimed
US-6506781-B1 Prevent formation of a hydrogen bond between the agonist and tyrosine or histidine, or tryptophan involved in receptor activation; and/or b) displace the tyrosine or histidine, or tryptophan involved in receptor activation from its agonist SMITHKLINE BEECHAM CORPORATION 2003-01-14 US claimed
EP-1210345-A1 OXAZOLE PPAR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-06-05 EP claimed
WO-2001017994-A1 OXAZOLE PPAR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2001-03-15 WO claimed
EP-1210345-B1 OXAZOLE PPAR ANTAGONISTS GLAXO GROUP LTD (GB) 2004-03-03 EP disclosed
US-6506781-B1 Prevent formation of a hydrogen bond between the agonist and tyrosine or histidine, or tryptophan involved in receptor activation; and/or b) displace the tyrosine or histidine, or tryptophan involved in receptor activation from its agonist SMITHKLINE BEECHAM CORPORATION 2003-01-14 US disclosed
EP-1210345-A1 OXAZOLE PPAR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-06-05 EP disclosed
WO-2001017994-A1 OXAZOLE PPAR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2001-03-15 WO disclosed