SCHEMBL7313879

SCHEMBL7313879

CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSMB5 P28074 6/20 0.43
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
REN P00797 6/20 0.42
PSMB2 P49721 2/20 0.42
PSMB1 P20618 1/20 0.42
PSMB8 P28062 2/20 0.42
PSMB9 P28065 1/20 0.42
PSMB10 P40306 1/20 0.42

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
SCHEMBL7436647 1.00 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2PSMB5PSEN1
SCHEMBL7299047 0.95 PSEN1 (0.44) ALDH1A1HPGDSMN1; SMN2PSMB5PSEN1
SCHEMBL7444412 0.95 PSEN1 (0.44) ALDH1A1HPGDSMN1; SMN2PSMB5PSEN1
SCHEMBL7436642 0.88 ALDH1A1 (0.42) ALDH1A1HPGDSMN1; SMN2PSMB5REN
SCHEMBL7301724 0.87 PSMB5 (0.47) PSMB5RENPSMB2PSMB1
SCHEMBL7301731 0.87 PSMB5 (0.47) PSMB5RENPSMB2PSMB1
SCHEMBL7301741 0.87 PSMB5 (0.47) PSMB5RENPSMB2PSMB1
SCHEMBL7437237 0.87 CAPN1 (0.46) REN
SCHEMBL7437245 0.87 CAPN1 (0.46) REN
SCHEMBL8681311 0.87 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2PSMB5PSEN1

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