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SCHEMBL4757091

SCHEMBL4757091

COc1ccc(Oc2ccc3c(O)c(C(=O)NC(C(=O)O)C(NC(=O)c4nc(C)c5cc(Oc6ccccc6)ccc5c4O)C(=O)O)ncc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 15/20 0.60
▸ EGLN2 Q96KS0 15/20 0.60
▸ BBOX1 O75936 1/20 0.57
▸ THRA P10827 1/20 0.57
▸ THRB P10828 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
Roxadustat SCHEMBL3916306 0.86 EGLN1 (0.81) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL3916308 0.86 EGLN2 (0.62) EGLN1EGLN2THRATHRB
SCHEMBL523000 0.81 EGLN2 (0.70) EGLN1EGLN2
SCHEMBL523001 0.81 EGLN2 (0.70) EGLN1EGLN2
SCHEMBL28536064 0.81 EGLN1 (0.70) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL5030253 0.81 EGLN1 (0.61) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL522778 0.80 EGLN2 (0.68) EGLN1EGLN2
SCHEMBL522777 0.80 EGLN2 (0.68) EGLN1EGLN2
SCHEMBL22722546 0.80 EGLN1 (0.69) EGLN1EGLN2BBOX1THRATHRB
SCHEMBL30402374 0.80 EGLN2 (0.68) EGLN1EGLN2

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