SCHEMBL7301740

SCHEMBL7301740

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 13/20 0.47
CTSS P25774 11/20 0.44
CTSK P43235 11/20 0.44
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL7301730 1.00 CTSL (0.47) CTSLCTSSCTSKPOLBSMN1; SMN2
SCHEMBL7310595 0.91 CTSL (0.48) CTSLCTSSCTSKPOLBCRHBP
SCHEMBL7310578 0.91 CTSL (0.48) CTSLCTSSCTSKPOLBCRHBP
SCHEMBL7299094 0.91 ALDH1A1 (0.44) CTSLCTSSCTSKPOLBSMN1; SMN2
SCHEMBL7299101 0.91 ALDH1A1 (0.44) CTSLCTSSCTSKPOLBSMN1; SMN2
SCHEMBL7303804 0.91 POLB (0.48) CTSLCTSSCTSKPOLBCRHBP
SCHEMBL7303780 0.91 POLB (0.48) CTSLCTSSCTSKPOLBCRHBP
SCHEMBL7310659 0.88 CTSK (0.44) CTSLCTSKPOLBTAS1R3TAS1R1
SCHEMBL7310672 0.88 CTSK (0.44) CTSLCTSKPOLBTAS1R3TAS1R1
SCHEMBL7306348 0.88 CTSL (0.39) CTSLCTSSCTSKPOLBSMN1; 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 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-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