SCHEMBL7426196

SCHEMBL7426196

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.44
MMP1 P03956 4/20 0.43
PTPN1 P18031 1/20 0.41
MMP2 P08253 1/20 0.41
ERAP2 Q6P179 2/20 0.41
ERAP1 Q9NZ08 2/20 0.41
IL1RN P18510 1/20 0.41
ACE P12821 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
LNPEP Q9UIQ6 1/20 0.40
OPRD1 P41143 1/20 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 0.91 MMP3 (0.43) MMP3MMP1PTPN1MMP2CTSL
SCHEMBL7358575 0.88 PTPN1 (0.46) MMP3MMP1PTPN1ERAP2ERAP1
SCHEMBL7362029 0.88 MME (0.41) MMP3MMP1CTSK
SCHEMBL7364809 0.87 MMP3 (0.39) MMP3MMP1MMP2CTSLCTSB
SCHEMBL7357685 0.84 MMP3 (0.44) MMP3MMP1MMP2OPRD1
SCHEMBL7358708 0.84 MMP3 (0.42) MMP3MMP1MMP2CTSL
SCHEMBL7361335 0.83 MMP3 (0.42) MMP3MMP1MMP2ERAP2CTSL
SCHEMBL7363695 0.83 MME (0.46) MMP3MMP1MMP2
SCHEMBL7363969 0.82 CTSK (0.47) CTSLCTSBCTSSCTSK
SCHEMBL7426285 0.81 MMP3 (0.44) MMP3MMP1MMP2

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 1 patent. 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