SCHEMBL7435252

SCHEMBL7435252

CC(C)CC(CNC(Cc1ccccc1)C(=O)CSCc1ccco1)NC(=O)COc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GPR34 Q9UPC5 3/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
PTPN1 P18031 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8683167 0.89 POLB (0.42) ALDH1A1POLBMAPTUSP2HPGD
SCHEMBL7436028 0.88 ALDH1A1 (0.41) ALDH1A1POLBMAPTUSP2HPGD
SCHEMBL7435258 0.88 GPR34 (0.47) ALDH1A1POLBMAPTUSP2HPGD
SCHEMBL7435245 0.88 GPR34 (0.47) ALDH1A1POLBMAPTUSP2HPGD
SCHEMBL7347734 0.87 GPR34 (0.54) ALDH1A1POLBMAPTUSP2HPGD
SCHEMBL7347741 0.87 GPR34 (0.54) ALDH1A1POLBMAPTUSP2HPGD
SCHEMBL7437147 0.87 HPGD (0.45) ALDH1A1POLBMAPTUSP2HPGD
SCHEMBL7433236 0.85 PSMB1 (0.46) ALDH1A1
SCHEMBL7444208 0.85 ALDH1A1 (0.46) ALDH1A1POLBMAPTUSP2HPGD
SCHEMBL7444214 0.85 ALDH1A1 (0.46) ALDH1A1POLBMAPTUSP2HPGD

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-0525420-B1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors MITSUBISHI CHEM CORP (JP) 1999-05-12 EP disclosed
US-5834508-A PROTEASE ENZYME INHIBITORS; MUSCLE DISORDERS MITSUBISHI CHEMICAL CORPORATION (JP) 1998-11-10 US disclosed
US-5639783-A POTENT PROTEASE INHIBITOR FOR TREATING MUSCULAR, NERVOUS SYSTEM DISEASES MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-17 US disclosed