SCHEMBL7425968

SCHEMBL7425968

CCCCCCCCC(=O)N(C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)c1n[nH]c(=S)s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.40
MMP1 P03956 4/20 0.39
MMP2 P08253 2/20 0.39
CTSD P07339 1/20 0.36
TLR2 O60603 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
FAAH O00519 2/20 0.35
PSMB5 P28074 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34

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
SCHEMBL7396119 0.90 MMP3 (0.44) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7366460 0.85 MMP3 (0.42) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7361335 0.83 MMP3 (0.42) MMP3MMP1MMP2CTSDMMP9
SCHEMBL7356789 0.82 MMP3 (0.43) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7358533 0.80 MMP3 (0.39) MMP3MMP1MMP2CTSDMMP9
SCHEMBL7368214 0.79 LNPEP (0.41) MMP3MMP1MMP2PSMB5
SCHEMBL7423322 0.79 ERAP2 (0.40) MMP3MMP1MMP2CTSDMMP9
SCHEMBL7355861 0.78 PSMB1 (0.41) MMP3MMP1PSMB5
SCHEMBL7364939 0.77 ERAP2 (0.40) MMP3MMP1MMP2
SCHEMBL7400006 0.76 MMP3 (0.42) MMP3MMP1MMP2MMP9MMP8

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed