SCHEMBL7358575

SCHEMBL7358575

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
ERAP2 Q6P179 3/20 0.46
IL1RN P18510 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
PSMB1 P20618 2/20 0.43
PSMB9 P28065 2/20 0.43
PSMB5 P28074 2/20 0.43
PSMB10 P40306 2/20 0.43
PSMB2 P49721 2/20 0.43
CTSK P43235 3/20 0.41
CTSS P25774 2/20 0.41
LNPEP Q9UIQ6 1/20 0.40
HRAS P01112 2/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
PSMB8 P28062 1/20 0.39
CTSL P07711 1/20 0.39
MMP3 P08254 3/20 0.39

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
SCHEMBL7357864 0.95 MMP3 (0.43) PTPN1CTSKCTSSCTSLMMP3
SCHEMBL7355861 0.90 PSMB1 (0.41) PTPN1ERAP2PSMB1PSMB9PSMB5
SCHEMBL7426196 0.88 MMP3 (0.44) PTPN1ERAP2IL1RNERAP1CTSK
SCHEMBL7394273 0.85 ITGB3 (0.44) ERAP2LNPEPHRASMMEACE
SCHEMBL7357685 0.85 MMP3 (0.44) MMP3MMP1
SCHEMBL7358708 0.84 MMP3 (0.42) CTSLMMP3MMP1
SCHEMBL7361335 0.84 MMP3 (0.42) ERAP2CTSKCTSSLNPEPMME
SCHEMBL7363695 0.83 MME (0.46) MMEMMP3MMP1LTA4H
SCHEMBL7358546 0.83 LTA4H (0.41) PTPN1ERAP2PSMB1PSMB9PSMB5
SCHEMBL7362029 0.82 MME (0.41) CTSKMMEMMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889886-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1999-01-13 EP disclosed
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
WO-1997035854-A1 NOVEL PHENANTHRIDINES SUBSTITUTED IN THE 6 POSITION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-10-02 WO disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed