SCHEMBL6543649

SCHEMBL6543649

Cc1cc(Oc2ccc3nc(C(C)Oc4ccc(CC5SC(=O)NC5=O)cc4)[nH]c3c2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
PPARG P37231 11/20 0.48
ESRRA P11474 1/20 0.48
FFAR1 O14842 5/20 0.41
PPARA Q07869 3/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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 SCHEMBL6543679 0.99 THRA (0.49) THRATHRBPPARGESRRAFFAR1
SCHEMBL6543634 0.93 PPARG (0.49) THRATHRBPPARGESRRAFFAR1
Hydrochloric Acid SCHEMBL6544756 0.93 PPARG (0.49) THRATHRBPPARGESRRAFFAR1
SCHEMBL6544525 0.91 THRA (0.46) THRATHRBPPARGESRRAFFAR1
SCHEMBL3246060 0.91 PPARG (0.58) THRATHRBPPARGESRRAFFAR1
SCHEMBL6543694 0.91 PPARG (0.46) THRATHRBPPARGESRRAFFAR1
Hydrochloric Acid SCHEMBL6544785 0.90 THRA (0.46) THRATHRBPPARGESRRAFFAR1
Hydrochloric Acid SCHEMBL6543625 0.90 PPARG (0.59) THRATHRBPPARGESRRAFFAR1
Hydrochloric Acid SCHEMBL3241810 0.90 PPARG (0.58) THRATHRBPPARGESRRAFFAR1
SCHEMBL6543635 0.89 PPARG (0.49) THRATHRBPPARGESRRAFFAR1

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 6 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
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
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