SCHEMBL7307788

SCHEMBL7307788

C[C@@H](CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)CSCc1ccco1)CNC(=O)COc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
POLB P06746 3/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
GPR34 Q9UPC5 1/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ESR1 P03372 1/20 0.38
APEX1 P27695 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL7303805 0.95 ALDH1A1 (0.52) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL7343460 0.88 ALDH1A1 (0.53) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL7301647 0.88 ALDH1A1 (0.51) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL7311218 0.88 ALDH1A1 (0.52) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL7302483 0.86 ALDH1A1 (0.51) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL7347741 0.85 GPR34 (0.54) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL7347734 0.85 GPR34 (0.54) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL7315659 0.84 ALDH1A1 (0.54) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL7444208 0.84 ALDH1A1 (0.46) L3MBTL1ALDH1A1MAPTTDP1POLB
SCHEMBL7444214 0.84 ALDH1A1 (0.46) L3MBTL1ALDH1A1MAPTTDP1POLB

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 4 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
EP-0525420-A1 Pseudopeptides and dipeptides characterised by a substituted methyl ketone moiety at the C-terminus as thiol protease inhibitors Mitsubishi Chemical Corporation (JP) 1993-02-03 EP disclosed