SCHEMBL6543708

SCHEMBL6543708

CC(Oc1ccc(CC2SC(=O)NC2=O)cc1)c1nc2ccc(Oc3ccc(Cc4ccccc4)cc3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.45
PPARG P37231 8/20 0.45
PPARA Q07869 4/20 0.45
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
ESRRA P11474 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 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
Hydrochloric Acid SCHEMBL6544335 0.99 FFAR1 (0.44) FFAR1PPARGPPARAGRIN1GRIN2B
Hydrochloric Acid SCHEMBL6544449 0.95 PPARG (0.46) FFAR1PPARGPPARAESRRATHRA
SCHEMBL6544497 0.93 FFAR1 (0.49) FFAR1PPARGPPARAESRRATHRA
Hydrochloric Acid SCHEMBL6543808 0.93 FFAR1 (0.48) FFAR1PPARGPPARAESRRATHRA
Hydrochloric Acid SCHEMBL6544444 0.92 PPARG (0.43) FFAR1PPARGPPARAESRRATHRA
SCHEMBL6543694 0.91 PPARG (0.46) FFAR1PPARGPPARAESRRATHRA
SCHEMBL6543635 0.91 PPARG (0.49) FFAR1PPARGPPARAESRRATHRA
SCHEMBL6544249 0.90 MAPT (0.50) FFAR1PPARGPPARAESRRATHRA
Hydrochloric Acid SCHEMBL6544486 0.90 PPARG (0.48) FFAR1PPARGPPARAESRRATHRA
Hydrochloric Acid SCHEMBL6543653 0.90 FFAR1 (0.51) FFAR1PPARGPPARA

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
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP claimed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US claimed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP claimed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed