SCHEMBL7311889

SCHEMBL7311889

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)COc1cccc(F)c1)C(=O)CSCc1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASP3 P42574 6/20 0.39
CASP1 P29466 5/20 0.39
CASP7 P55210 5/20 0.39
CASP8 Q14790 5/20 0.39
CASP6 P55212 4/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CTSD P07339 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 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
SCHEMBL7439506 1.00 USP2 (0.39) USP2ALDH1A1POLBMAPTHPGD
SCHEMBL7445078 0.92 ALDH1A1 (0.40) USP2ALDH1A1POLBMAPTHPGD
SCHEMBL7302614 0.92 ALDH1A1 (0.40) USP2ALDH1A1POLBMAPTHPGD
SCHEMBL7438981 0.92 POLB (0.40) USP2ALDH1A1POLBMAPTHPGD
SCHEMBL7314551 0.92 KMT2A (0.40) USP2ALDH1A1POLBMAPTHPGD
SCHEMBL7438992 0.92 POLB (0.40) USP2ALDH1A1POLBMAPTHPGD
SCHEMBL7314563 0.92 KMT2A (0.40) USP2ALDH1A1POLBMAPTHPGD
SCHEMBL7302463 0.91 ALDH1A1 (0.48) USP2ALDH1A1POLBMAPTHPGD
SCHEMBL7302479 0.91 ALDH1A1 (0.48) USP2ALDH1A1POLBMAPTHPGD
SCHEMBL7439502 0.89 ALDH1A1 (0.39) USP2ALDH1A1POLBMAPTHPGD

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