SCHEMBL7343248

SCHEMBL7343248

O=C(COc1ccccc1Cl)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 7/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MBTPS1 Q14703 1/20 0.43
TP53 P04637 2/20 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
SCHEMBL7343264 1.00 POLB (0.45) POLBMEN1KMT2ARAB9AALDH1A1
SCHEMBL8887573 0.92 MEN1 (0.43) POLBMEN1KMT2ARAB9AALDH1A1
SCHEMBL8683165 0.92 MEN1 (0.43) POLBMEN1KMT2ARAB9AALDH1A1
SCHEMBL7341662 0.89 HPGD (0.53) POLBRAB9AALDH1A1HPGDMAPT
SCHEMBL7341642 0.89 HPGD (0.53) POLBRAB9AALDH1A1HPGDMAPT
SCHEMBL7350634 0.88 ALDH1A1 (0.58) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL8683167 0.87 POLB (0.42) POLBMEN1KMT2ARAB9AALDH1A1
SCHEMBL7347741 0.87 GPR34 (0.54) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL7347734 0.87 GPR34 (0.54) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL7343460 0.85 ALDH1A1 (0.53) POLBMEN1KMT2AALDH1A1HPGD

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