SCHEMBL5140997

SCHEMBL5140997

Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccc(O)cc3)cc12.O=C(O)CNC(=O)c1nc(C(=O)c2ccccc2)c2cc(Oc3ccccc3)ccc2c1O

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.80
THRA P10827 13/20 0.80
EGLN1 Q9GZT9 8/20 0.80
BBOX1 O75936 1/20 0.80
SLC6A2 P23975 1/20 0.80
SLC6A3 Q01959 1/20 0.80
ASPH Q12797 1/20 0.80
KDM8 Q8N371 1/20 0.80
FTO Q9C0B1 1/20 0.80
EGLN2 Q96KS0 1/20 0.66

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
SCHEMBL3787440 0.92 THRB (0.75) THRBTHRAEGLN1BBOX1SLC6A2
SCHEMBL3789365 0.90 THRA (0.88) THRBTHRAEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL29350689 0.90 THRA (1.00) THRBTHRAEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL523705 0.90 THRA (1.00) THRBTHRAEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL29892426 0.90 THRA (1.00) THRBTHRAEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421447 0.89 THRA (0.98) THRBTHRAEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421135 0.89 THRA (0.98) THRBTHRAEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421446 0.89 THRA (0.98) THRBTHRAEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421351 0.89 THRA (0.98) THRBTHRAEGLN1BBOX1SLC6A2
Roxadustat SCHEMBL15421357 0.89 THRA (0.98) THRBTHRAEGLN1BBOX1SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893186-A2 IMPROVED TREATMENT FOR ANEMIA USING A HIF-ALPHA STABILISING AGENT FIBROGEN, INC. (US) 2008-03-05 EP disclosed
WO-2006133391-A2 IMPROVED TREATMENT FOR ANEMIA USING A HIF-ALPHA STABILISING AGENT FIBROGEN, INC. (US) 2006-12-14 WO disclosed