SCHEMBL7435258

SCHEMBL7435258

CC(C)CC(NC(=O)COc1ccc(Cl)cc1)C(=O)NC(Cc1ccccc1)C(=O)CSCc1ccco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 3/20 0.47
PTPN1 P18031 3/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP1 P29466 2/20 0.42
CASP3 P42574 2/20 0.42
CASP7 P55210 2/20 0.42
CASP6 P55212 2/20 0.42
CASP8 Q14790 2/20 0.42
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
CTSD P07339 1/20 0.42
REN P00797 1/20 0.41
HTRA1 Q92743 1/20 0.41

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
SCHEMBL7435245 1.00 GPR34 (0.47) GPR34PTPN1USP2ALDH1A1POLB
SCHEMBL7444214 0.97 ALDH1A1 (0.46) GPR34PTPN1USP2ALDH1A1POLB
SCHEMBL7444208 0.97 ALDH1A1 (0.46) GPR34PTPN1USP2ALDH1A1POLB
SCHEMBL7303784 0.94 ALDH1A1 (0.49) PTPN1USP2ALDH1A1POLBMAPT
SCHEMBL7303797 0.94 ALDH1A1 (0.49) PTPN1USP2ALDH1A1POLBMAPT
SCHEMBL7347741 0.92 GPR34 (0.54) GPR34PTPN1USP2ALDH1A1POLB
SCHEMBL7347734 0.92 GPR34 (0.54) GPR34PTPN1USP2ALDH1A1POLB
SCHEMBL8887573 0.89 MEN1 (0.43) PTPN1ALDH1A1POLBMAPTHPGD
SCHEMBL8683165 0.89 MEN1 (0.43) PTPN1ALDH1A1POLBMAPTHPGD
SCHEMBL7343460 0.89 ALDH1A1 (0.53) GPR34PTPN1USP2ALDH1A1POLB

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 2 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