SCHEMBL7301037

SCHEMBL7301037

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COc1ccc(Cl)cc1Cl)C(=O)CSCc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.41
NR4A1 P22736 1/20 0.40
TP53 P04637 2/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NLRP1 Q9C000 1/20 0.39
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39

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
SCHEMBL7301044 1.00 HPGD (0.49) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7437159 0.94 TP53 (0.44) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7437177 0.94 TP53 (0.44) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7441563 0.93 POLB (0.40) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7441573 0.93 POLB (0.40) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7310951 0.92 ALDH1A1 (0.44) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7310961 0.92 ALDH1A1 (0.44) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7304720 0.91 ALDH1A1 (0.40) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7436035 0.91 ALDH1A1 (0.40) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7312214 0.90 ALDH1A1 (0.38) HPGDRAB9AMAPTTDP1SMN1; SMN2

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