SCHEMBL22493056

SCHEMBL22493056

CCCOC(=O)c1cc2ccc(Oc3ccccc3)cc2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
GABRA4 P48169 1/20 0.50
GABRE P78334 1/20 0.50
GABRA6 Q16445 1/20 0.50
GABRG1 Q8N1C3 1/20 0.50
GABRG3 Q99928 1/20 0.50
GABRQ Q9UN88 1/20 0.50
LMNA P02545 1/20 0.48

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
SCHEMBL28726206 0.84 ABL1 (0.46) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL28680173 0.84 GABRP (0.59) MAPTALDH1A1SMN1; SMN2GABRPGABRD
SCHEMBL28674760 0.83 ABL1 (0.55) MAPTALDH1A1GABRPGABRDGABRA1
SCHEMBL22396403 0.81 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2GABRPGABRD
SCHEMBL30410404 0.80 ABL1 (0.56) ABL1MEN1KMT2AEGLN1EGLN2
SCHEMBL27449890 0.79 TSHR (0.60) MAPTALDH1A1SMN1; SMN2GABRPGABRD
SCHEMBL28583536 0.77 LMNA (0.74) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL28672174 0.75 SCN9A (0.47) MAPTALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL13610176 0.74 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2GABRPGABRD
SCHEMBL522362 0.74 EGLN2 (0.59) LTA4HTHRBEGLN1EGLN2

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
CN-111592490-B Preparation method of key intermediate of roxasistat 浙江工业大学 2022-04-22 CN disclosed
EP-3717456-A1 PROCESS FOR THE PREPARATION OF ROXADUSTAT AND ITS INTERMEDIATES Dr. Reddy's Laboratories Limited (IN) 2020-10-07 EP disclosed
CN-111592490-A Preparation method of key intermediate of roxasistat 浙江工业大学 2020-08-28 CN disclosed