SCHEMBL22493050

SCHEMBL22493050

CCOC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1CO

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.51
EGLN2 Q96KS0 12/20 0.49
PTGS2 P35354 2/20 0.49
SCN9A Q15858 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
Hydrochloric Acid SCHEMBL22588812 0.99 EGLN1 (0.53) EGLN1EGLN2PTGS2SCN9AGABRA1
SCHEMBL6060051 0.90 EGLN1 (0.48) EGLN1EGLN2THRATHRBCYP1A2
SCHEMBL6060946 0.89 EGLN1 (0.49) EGLN1EGLN2PTGS2SCN9AGABRA1
SCHEMBL15268696 0.89 EGLN1 (0.55) EGLN1EGLN2THRATHRB
SCHEMBL523263 0.86 EGLN1 (0.64) EGLN1EGLN2PTGS2
SCHEMBL23929416 0.86 EGLN1 (0.57) EGLN1EGLN2
SCHEMBL14942062 0.84 EGLN1 (0.55) EGLN1EGLN2
SCHEMBL6060086 0.82 EGLN2 (0.48) EGLN1EGLN2PTGS2GABRA1GABRG2
SCHEMBL6060534 0.81 POLB (0.40) EGLN1EGLN2PTGS2GABRA1GABRG2
SCHEMBL6059991 0.81 PPARG (0.40) EGLN1EGLN2GABRA1GABRG2GABRB3

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
EP-3717456-A1 PROCESS FOR THE PREPARATION OF ROXADUSTAT AND ITS INTERMEDIATES Dr. Reddy's Laboratories Limited (IN) 2020-10-07 EP disclosed