SCHEMBL7982632

SCHEMBL7982632

O=C(C[C@@H](CCc1ccccc1)C(=O)O)N[C@@H](Cc1ccccc1)C(=S)NCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.49
FCER2 P06734 1/20 0.49
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
MMP3 P08254 3/20 0.46
MMP2 P08253 1/20 0.46
MMP7 P09237 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MMP9 P14780 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MMP8 P22894 3/20 0.44

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
SCHEMBL27522992 1.00 MMP1 (0.49) MMP1FCER2CTSGCMA1MMP3
SCHEMBL27550386 0.93 MMP1 (0.46) MMP1CTSGCMA1MMP3MMP2
SCHEMBL7982890 0.88 ACE (0.52) MMP1FCER2MMP3MMP2MMP7
SCHEMBL7982892 0.88 ACE (0.52) MMP1FCER2MMP3MMP2MMP7
SCHEMBL7068112 0.86 EPHX2 (0.47) MMP1CTSGCMA1MMP3MMP2
SCHEMBL7068109 0.86 EPHX2 (0.47) MMP1CTSGCMA1MMP3MMP2
SCHEMBL27549172 0.84 MMP2 (0.58) MMP1MMP3MMP2
SCHEMBL7067649 0.81 CTSG (0.56) CTSGCMA1L3MBTL1GAAHPGD
SCHEMBL7067645 0.81 CTSG (0.56) CTSGCMA1L3MBTL1GAAHPGD
SCHEMBL7982631 0.81 EPHX2 (0.48) CTSGCMA1HPGD

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
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US disclosed