SCHEMBL7350634

SCHEMBL7350634

O=C(COc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
POLB P06746 5/20 0.58
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HPGD P15428 2/20 0.58
USP2 O75604 1/20 0.58
PSMB5 P28074 1/20 0.47
CTSL P07711 1/20 0.47
GPR34 Q9UPC5 8/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
ESR1 P03372 1/20 0.42
APEX1 P27695 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 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
SCHEMBL7347741 0.93 GPR34 (0.54) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL7347734 0.93 GPR34 (0.54) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL7343460 0.93 ALDH1A1 (0.53) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL7350803 0.92 POLB (0.49) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL7350822 0.92 POLB (0.49) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL7349114 0.92 KMT2A (0.49) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL7349092 0.92 KMT2A (0.49) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL7303784 0.91 ALDH1A1 (0.49) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL7303797 0.91 ALDH1A1 (0.49) ALDH1A1POLBMAPTTDP1L3MBTL1
SCHEMBL7341599 0.90 ALDH1A1 (0.56) ALDH1A1POLBMAPTTDP1L3MBTL1

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