SCHEMBL7349092

SCHEMBL7349092

Cc1cccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)CSCc2ccco2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 7/20 0.49
MAPT P10636 7/20 0.49
POLB P06746 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
USP2 O75604 2/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTT P42858 4/20 0.44
KDM4E B2RXH2 2/20 0.44
BLM P54132 1/20 0.44
LMNA P02545 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GPR34 Q9UPC5 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7349114 1.00 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7350634 0.92 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7350803 0.91 POLB (0.49) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7350822 0.91 POLB (0.49) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7346323 0.87 GPR34 (0.50) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7346317 0.87 GPR34 (0.50) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7347741 0.85 GPR34 (0.54) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7347734 0.85 GPR34 (0.54) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7343460 0.85 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL7303784 0.85 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTPOLB

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