SCHEMBL7350822

SCHEMBL7350822

COc1cccc(OCC(=O)NC(Cc2ccccc2)C(=O)CSCc2ccco2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
USP2 O75604 2/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 2/20 0.47
RECQL P46063 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR34 Q9UPC5 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.42

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
SCHEMBL7350803 1.00 POLB (0.49) POLBALDH1A1HPGDUSP2MAPT
SCHEMBL7350634 0.92 ALDH1A1 (0.58) POLBALDH1A1HPGDUSP2MAPT
SCHEMBL7349092 0.91 KMT2A (0.49) POLBALDH1A1HPGDUSP2MAPT
SCHEMBL7349114 0.91 KMT2A (0.49) POLBALDH1A1HPGDUSP2MAPT
SCHEMBL7341662 0.87 HPGD (0.53) POLBALDH1A1HPGDUSP2MAPT
SCHEMBL7341642 0.87 HPGD (0.53) POLBALDH1A1HPGDUSP2MAPT
SCHEMBL7346317 0.87 GPR34 (0.50) POLBALDH1A1HPGDUSP2MAPT
SCHEMBL7346323 0.87 GPR34 (0.50) POLBALDH1A1HPGDUSP2MAPT
SCHEMBL7347734 0.85 GPR34 (0.54) POLBALDH1A1HPGDUSP2MAPT
SCHEMBL7347741 0.85 GPR34 (0.54) POLBALDH1A1HPGDUSP2MAPT

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
EP-0603873-B1 Aminoketone derivatives MITSUBISHI CHEM CORP (JP) 1998-04-15 EP disclosed
US-5424325-A Inibitors of thiol protease and may be used as therapeutic agents for treating muscular dystrophy, cataracts, strokes MITSUBISHI KASEI CORPORATION (JP) 1995-06-13 US disclosed
EP-0603873-A1 Aminoketone derivatives Mitsubishi Chemical Corporation (JP) 1994-06-29 EP disclosed