SCHEMBL7309565

SCHEMBL7309565

CC(C)C[C@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)CSCc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 7/20 0.45
PSEN1 P49768 5/20 0.44
PSEN2 P49810 5/20 0.44
APH1B Q8WW43 5/20 0.44
NCSTN Q92542 5/20 0.44
APH1A Q96BI3 5/20 0.44
PSENEN Q9NZ42 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP1 P29466 6/20 0.43
CASP7 P55210 6/20 0.43
CASP6 P55212 6/20 0.43
CASP8 Q14790 6/20 0.43

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
SCHEMBL7309584 1.00 REN (0.46) RENALDH1A1HPGDUSP2POLB
SCHEMBL7303784 0.86 ALDH1A1 (0.49) RENALDH1A1HPGDUSP2POLB
SCHEMBL7303797 0.86 ALDH1A1 (0.49) RENALDH1A1HPGDUSP2POLB
SCHEMBL7311213 0.86 ALDH1A1 (0.49) RENALDH1A1HPGDUSP2POLB
SCHEMBL7311200 0.86 ALDH1A1 (0.49) RENALDH1A1HPGDUSP2POLB
SCHEMBL7310239 0.85 REN (0.49) RENMMP3
SCHEMBL7310229 0.85 REN (0.49) RENMMP3
SCHEMBL7309585 0.84 ALDH1A1 (0.47) RENALDH1A1HPGDUSP2POLB
SCHEMBL7301641 0.84 ALDH1A1 (0.48) RENALDH1A1HPGDUSP2POLB
SCHEMBL7301631 0.84 ALDH1A1 (0.48) RENALDH1A1HPGDUSP2POLB

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