SCHEMBL12511241

SCHEMBL12511241

CCOOCC(CCc1ccccc1)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.48
▸ CTSS P25774 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ACE P12821 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ KLK7 P49862 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ SYK P43405 1/20 0.40

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
SCHEMBL4426973 0.84 CTSK (0.51) CTSKCTSSMMP1MMP3MMP9
SCHEMBL12433264 0.84 CTSK (0.51) CTSKCTSSMMP1MMP3MMP9
SCHEMBL29401894 0.80 GGT1 (0.56) CTSKCTSSMMP1MMP3MMP9
SCHEMBL8254030 0.79 CCKBR (0.49) —
SCHEMBL15384071 0.77 CTSK (0.48) CTSKCTSSMMP1MMP3MMP9
SCHEMBL19839686 0.76 MEN1 (0.55) CTSKMMP1MMP3MMP9MEN1
SCHEMBL19839675 0.76 MEN1 (0.55) CTSKMMP1MMP3MMP9MEN1
SCHEMBL19839673 0.76 MEN1 (0.55) CTSKMMP1MMP3MMP9MEN1
SCHEMBL7440534 0.76 CTSK (0.55) CTSKCTSSMMP1MMP3MMP9
SCHEMBL12890796 0.76 CTSK (0.65) CTSKCTSSMMP1MMP3MMP9

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-7981922-B2 Angiotensin I-converting enzyme (ACE) inhibitors UNIVERSITY OF CAPE TOWN (ZA) 2011-07-19 — — US disclosed
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