SCHEMBL7433853

SCHEMBL7433853

CCCCC(NC(=O)C(CC(C)C)NC(=O)OCC1CCCCC1)C(=O)CSCc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSL P07711 6/20 0.41
CTSB P07858 3/20 0.40
REN P00797 3/20 0.40
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
CTSS P25774 2/20 0.38
GPR88 Q9GZN0 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
SCHEMBL8886895 1.00 CTSK (0.43) CTSKALDH1A1HPGDSMN1; SMN2CTSL
SCHEMBL8886883 1.00 CTSK (0.43) CTSKALDH1A1HPGDSMN1; SMN2CTSL
SCHEMBL7310572 1.00 CTSK (0.43) CTSKALDH1A1HPGDSMN1; SMN2CTSL
SCHEMBL7433847 0.89 ALDH1A1 (0.39) CTSKALDH1A1HPGDSMN1; SMN2CTSL
SCHEMBL7437237 0.88 CAPN1 (0.46) CTSKRENCTSS
SCHEMBL7437245 0.88 CAPN1 (0.46) CTSKRENCTSS
SCHEMBL8886890 0.87 ALDH1A1 (0.38) CTSKALDH1A1HPGDSMN1; SMN2CTSL
SCHEMBL7308007 0.86 SMN1; SMN2 (0.45) ALDH1A1HPGDSMN1; SMN2RENPSEN1
SCHEMBL7313668 0.86 SMN1; SMN2 (0.45) ALDH1A1HPGDSMN1; SMN2RENPSEN1
SCHEMBL7306659 0.85 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2CTSLCTSB

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-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