SCHEMBL7302949

SCHEMBL7302949

CSCC(=O)[C@H](CCc1ccccc1)NC(=O)CC[C@H](C)CNC(=O)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.42
HPGD P15428 1/20 0.42
PTPN1 P18031 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
PSMB5 P28074 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL7301647 0.85 ALDH1A1 (0.51) POLBKMT2AHPGDPTPN1L3MBTL1
SCHEMBL7435315 0.81 CTSL (0.50) POLBPSMB5
SCHEMBL7435291 0.81 CTSL (0.50) POLBPSMB5
SCHEMBL7435297 0.81 KMT2A (0.49) POLBKMT2AHPGDPTPN1L3MBTL1
SCHEMBL7303805 0.77 ALDH1A1 (0.52) POLBKMT2AHPGDPTPN1L3MBTL1
SCHEMBL7311218 0.76 ALDH1A1 (0.52) POLBKMT2AHPGDL3MBTL1MEN1
SCHEMBL7302483 0.74 ALDH1A1 (0.51) POLBKMT2AHPGDL3MBTL1MEN1
SCHEMBL7307788 0.72 L3MBTL1 (0.48) POLBHPGDL3MBTL1ADAMTS5
SCHEMBL12226097 0.72 GPR34 (0.56) KMT2AHPGDMEN1PSMB5
SCHEMBL7435308 0.70 SMN1; SMN2 (0.41) POLBKMT2APTPN1HDAC8MEN1

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