SCHEMBL6849966

SCHEMBL6849966

CCC(N)C(=O)C(=O)NC(=O)CN(C(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC)S(=O)(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 4/20 0.42
PSMB10 P40306 4/20 0.42
PSMB2 P49721 4/20 0.42
PSMB5 P28074 3/20 0.42
PSMB11 A5LHX3 2/20 0.42
PSMA7 O14818 2/20 0.42
PSMB1 P20618 2/20 0.42
PSMA1 P25786 2/20 0.42
PSMA2 P25787 2/20 0.42
PSMA3 P25788 2/20 0.42
PSMA4 P25789 2/20 0.42
PSMB8 P28062 2/20 0.42
PSMB9 P28065 2/20 0.42
PSMA5 P28066 2/20 0.42
PSMB4 P28070 2/20 0.42
PSMB6 P28072 2/20 0.42
PSMB3 P49720 2/20 0.42
PSMA6 P60900 2/20 0.42
PSMA8 Q8TAA3 2/20 0.42
PSMB7 Q99436 2/20 0.42

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
SCHEMBL6846196 0.93 LONP1 (0.42) LONP1PSMB10PSMB2PSMB5PSMB11
SCHEMBL6848829 0.92 LONP1 (0.43) LONP1PSMB10PSMB2PSMB5PSMB11
SCHEMBL6851611 0.92 LONP1 (0.44) LONP1PSMB10PSMB2PSMB5PSMB11
SCHEMBL6849894 0.90 LONP1 (0.42) LONP1PSMB10PSMB2PSMB5PSMB11
SCHEMBL6850405 0.90 PSMB2 (0.44) LONP1PSMB10PSMB2PSMB5PSMB11
SCHEMBL6850364 0.90 LONP1 (0.41) LONP1PSMB10PSMB2PSMB5PSMB11
SCHEMBL6850290 0.89 LONP1 (0.41) LONP1PSMB10PSMB2PSMB5PSMB11
SCHEMBL6850390 0.89 PSMB5 (0.40) LONP1PSMB10PSMB2PSMB5PSMB11
SCHEMBL6849893 0.89 LONP1 (0.40) LONP1PSMB10PSMB2PSMB5PSMB11
SCHEMBL6850322 0.88 PSMB2 (0.42) LONP1PSMB10PSMB2PSMB5PSMB11

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175420-A2 PROCESS FOR PREPARING N6-SUBSTITUTED DEAZA-ADENOSINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2002-01-30 EP claimed
WO-2000037469-A2 PROCESS FOR PREPARING N6-SUBSTITUTED DEAZA-ADENOSINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-29 WO claimed
EP-0942900-A4 STEREOSPECIFIC PREPARATION OF CHIRAL 1-ARYL- AND 1-HETEROARYL-2-SUBSTITUTED ETHYL-2-AMINES AVENTIS PHARM PROD INC (US) 2004-08-04 EP disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP disclosed
EP-1175420-A2 PROCESS FOR PREPARING N6-SUBSTITUTED DEAZA-ADENOSINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2002-01-30 EP disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2000037469-A2 PROCESS FOR PREPARING N6-SUBSTITUTED DEAZA-ADENOSINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-29 WO disclosed
EP-0942900-A1 STEREOSPECIFIC PREPARATION OF CHIRAL 1-ARYL- AND 1-HETEROARYL-2-SUBSTITUTED ETHYL-2-AMINES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998011064-A1 STEREOSPECIFIC PREPARATION OF CHIRAL 1-ARYL- AND 1-HETEROARYL-2-SUBSTITUTED ETHYL-2-AMINES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-19 WO disclosed