SCHEMBL7302087

SCHEMBL7302087

CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cc1cccc2c1OCO2)C(=O)CSCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
EIF4H Q15056 1/20 0.40
PSMB5 P28074 2/20 0.36
ALDH1A1 P00352 8/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7312700 0.85 CASP1 (0.47) POLBPSMB5ALDH1A1HPGDCASP1
SCHEMBL7312916 0.83 POLB (0.46) POLBPSMB5ALDH1A1CASP1CASP3
SCHEMBL7312904 0.83 POLB (0.46) POLBPSMB5ALDH1A1CASP1CASP3
SCHEMBL7311282 0.81 ALDH1A1 (0.43) POLBPSMB5ALDH1A1HPGDSMN1; SMN2
SCHEMBL7311295 0.81 ALDH1A1 (0.43) POLBPSMB5ALDH1A1HPGDSMN1; SMN2
SCHEMBL7305782 0.81 MCHR1 (0.41) POLBPSMB5ALDH1A1HPGDSMN1; SMN2
SCHEMBL7305792 0.81 MCHR1 (0.41) POLBPSMB5ALDH1A1HPGDSMN1; SMN2
SCHEMBL7302479 0.80 ALDH1A1 (0.48) POLBPSMB5ALDH1A1HPGDCASP1
SCHEMBL7302463 0.80 ALDH1A1 (0.48) POLBPSMB5ALDH1A1HPGDCASP1
SCHEMBL7303752 0.80 HPGD (0.43) POLBPSMB5ALDH1A1HPGDSMN1; SMN2

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-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