SCHEMBL4758059

SCHEMBL4758059

COc1ccc(Oc2ccc3c(Cl)nc(C(=O)NCC(=O)O)c(O)c3c2)cc1.COc1ccc(Oc2ccc3c(O)c(C(=O)NCC(=O)O)ncc3c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 13/20 0.72
EGLN2 Q96KS0 7/20 0.67
THRA P10827 9/20 0.66
THRB P10828 9/20 0.66
BBOX1 O75936 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
ASPH Q12797 1/20 0.57
KDM8 Q8N371 1/20 0.57
FTO Q9C0B1 1/20 0.57

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
SCHEMBL5075247 0.96 THRA (0.72) EGLN1EGLN2THRATHRBBBOX1
SCHEMBL522758 0.92 EGLN1 (0.84) EGLN1EGLN2THRATHRB
SCHEMBL30274488 0.92 EGLN1 (0.80) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL523026 0.92 EGLN1 (0.80) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL5073118 0.91 EGLN1 (0.72) EGLN1EGLN2THRATHRBBBOX1
SCHEMBL4758056 0.88 EGLN1 (0.68) EGLN1EGLN2THRATHRBBBOX1
SCHEMBL522828 0.88 THRA (0.84) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL5027659 0.87 EGLN1 (0.72) EGLN1EGLN2THRATHRBBBOX1
Roxadustat SCHEMBL3916306 0.86 EGLN1 (0.81) EGLN1EGLN2THRATHRBBBOX1
SCHEMBL522111 0.86 EGLN1 (0.70) EGLN1EGLN2THRATHRBBBOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009002533-A1 INFLAMMATORY BOWEL DISEASE THERAPIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2008-12-31 WO disclosed