SCHEMBL7301737

SCHEMBL7301737

CCCCC(NCC(CC(C)C)NC(=O)c1cccc(C)c1)C(=O)CSCc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
POLB P06746 2/20 0.42
CTSL P07711 9/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 2/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.37
CTSS P25774 7/20 0.37
CTSK P43235 7/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 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
SCHEMBL7310588 0.91 HPGD (0.41) SMN1; SMN2TAS1R3TAS1R1POLBCTSL
SCHEMBL7299096 0.91 ALDH1A1 (0.43) SMN1; SMN2TAS1R3TAS1R1POLBALDH1A1
SCHEMBL7303801 0.91 ALDH1A1 (0.40) SMN1; SMN2POLBCTSLALDH1A1USP2
SCHEMBL7310667 0.88 ALDH1A1 (0.39) SMN1; SMN2TAS1R3TAS1R1POLBALDH1A1
SCHEMBL7306338 0.88 ALDH1A1 (0.38) SMN1; SMN2POLBCTSLALDH1A1USP2
SCHEMBL7300617 0.87 ALDH1A1 (0.37) SMN1; SMN2TAS1R3TAS1R1POLBCTSL
SCHEMBL7301730 0.87 CTSL (0.47) SMN1; SMN2TAS1R3TAS1R1POLBCTSL
SCHEMBL7442933 0.87 ALDH1A1 (0.44) SMN1; SMN2TAS1R3TAS1R1POLBCTSL
SCHEMBL7313603 0.87 ALDH1A1 (0.40) SMN1; SMN2POLBCTSLALDH1A1USP2
SCHEMBL7301740 0.87 CTSL (0.47) SMN1; SMN2TAS1R3TAS1R1POLBCTSL

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