SCHEMBL6543775

SCHEMBL6543775

Cc1cc(Oc2ccc3nc(C(C)Oc4ccc(CC5SC(=O)NC5=O)cc4)[nH]c3c2)c(C)c(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
PPARG P37231 12/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CISD1 Q9NZ45 1/20 0.42
FFAR1 O14842 4/20 0.40
PPARA Q07869 2/20 0.40
ESRRA P11474 1/20 0.40
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MPC2 O95563 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37

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 SCHEMBL6543735 0.99 THRA (0.45) THRATHRBPPARGMAOAMAOB
SCHEMBL6543662 0.93 THRA (0.42) THRATHRBPPARGMAOAMAOB
Hydrochloric Acid SCHEMBL6543597 0.93 THRA (0.41) THRATHRBPPARGMAOAMAOB
SCHEMBL6543634 0.90 PPARG (0.49) THRATHRBPPARGMAOAMAOB
SCHEMBL6544525 0.90 THRA (0.46) THRATHRBPPARGMAOAMAOB
Hydrochloric Acid SCHEMBL6544756 0.90 PPARG (0.49) THRATHRBPPARGMAOAMAOB
Hydrochloric Acid SCHEMBL6544785 0.89 THRA (0.46) THRATHRBPPARGMAOAMAOB
Hydrochloric Acid SCHEMBL6544296 0.89 THRA (0.47) THRATHRBPPARGFFAR1PPARA
SCHEMBL6544334 0.88 PPARG (0.44) THRATHRBPPARGMAOAMAOB
Hydrochloric Acid SCHEMBL6543566 0.88 PPARG (0.44) THRATHRBPPARGMAOAMAOB

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