SCHEMBL7301041

SCHEMBL7301041

CCCCC(NCC(CC(C)C)NC(=O)COc1ccc(Cl)cc1Cl)C(=O)CSCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.39
NR4A1 P22736 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NLRP1 Q9C000 1/20 0.37
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL7437166 0.94 TP53 (0.42) HPGDRAB9AMAPTSMN1; SMN2LMNA
SCHEMBL7441569 0.92 POLB (0.41) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7310960 0.91 ALDH1A1 (0.42) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7301044 0.90 HPGD (0.49) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7301037 0.90 HPGD (0.49) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7436028 0.90 ALDH1A1 (0.41) HPGDMAPTTDP1SMN1; SMN2LMNA
SCHEMBL7312209 0.89 ALDH1A1 (0.36) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7309694 0.87 HPGD (0.44) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7431383 0.87 HPGD (0.40) HPGDRAB9AMAPTTDP1SMN1; SMN2
SCHEMBL7435050 0.86 LMNA (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