SCHEMBL6543598

SCHEMBL6543598

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(O)c(C(C)(C)C)c2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 5/20 0.50
NR1H4 Q96RI1 7/20 0.44
ALDH1A1 P00352 2/20 0.41
ATM Q13315 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6543994 0.91 ESRRA (0.39) ESRRANR1H4ALDH1A1THRATHRB
SCHEMBL6544711 0.90 ESRRA (0.39) ESRRANR1H4ALDH1A1ATMTHRA
SCHEMBL6543660 0.89 ESRRA (0.37) ESRRANR1H4THRATHRB
SCHEMBL6544374 0.85 PARP10 (0.38) ESRRA
SCHEMBL27939698 0.84 KMT2A (0.37) ESRRAALDH1A1MAPTL3MBTL1
SCHEMBL6543619 0.83 HDAC3 (0.39) THRATHRBPOLBMAPTNPSR1
SCHEMBL15930785 0.83 ABL1 (0.35) ESRRA
SCHEMBL6544813 0.83 ALDH1A1 (0.39) ESRRANR1H4ALDH1A1GAA
SCHEMBL6544248 0.83 PARP10 (0.40) ALDH1A1POLBL3MBTL1
SCHEMBL6543768 0.83 MMP13 (0.43) ALDH1A1POLBNPSR1L3MBTL1

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 3 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 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