SCHEMBL6544812

SCHEMBL6544812

Cc1c(O)ccc(Oc2ccc(N)c(N(C)C(=O)OC(C)(C)C)c2)c1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 3/20 0.33
PCNA P12004 1/20 0.32
THRB P10828 2/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ABL1 P00519 1/20 0.30
THRA P10827 1/20 0.30

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
SCHEMBL6543660 0.85 ESRRA (0.37) ESRRAPCNATHRBABL1THRA
SCHEMBL6543097 0.84 PGR (0.33) ABL1
SCHEMBL6544202 0.84 ABL1 (0.32) ABL1
SCHEMBL6543795 0.84 AR (0.36) THRBTHRA
SCHEMBL6543791 0.83 KMT2A (0.37)
SCHEMBL28786462 0.82 CARM1 (0.37) SLC6A2SLC6A4ABL1
SCHEMBL6543598 0.82 ESRRA (0.50) ESRRATHRBTHRA
SCHEMBL27782470 0.82 HPGD (0.39)
SCHEMBL15930785 0.81 ABL1 (0.35) ESRRAABL1
SCHEMBL6544813 0.81 ALDH1A1 (0.39) ESRRA

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