SCHEMBL17553513

SCHEMBL17553513

C=CCOC(=O)N[C@@H](C)C(=O)NN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ REN P00797 3/20 0.42
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ P4HB P07237 1/20 0.38
▸ TGM2 P21980 3/20 0.38
▸ PSMB10 P40306 1/20 0.38

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
SCHEMBL17553672 0.89 MMP1 (0.42) MMP1MMP3MMP9TDP1PAX8
SCHEMBL17553512 0.86 MMP1 (0.40) MMP1MMP3MMP9TDP1PAX8
SCHEMBL17553671 0.83 MMP1 (0.46) MMP1MMP3MMP9TDP1PAX8
SCHEMBL17553675 0.81 REN (0.44) TDP1PAX8RENPSMB8PSMB9
SCHEMBL17553669 0.80 PTPN1 (0.37) TDP1PAX8REN
SCHEMBL17553515 0.80 MMP1 (0.49) MMP1MMP3MMP9TDP1PAX8
SCHEMBL17553572 0.79 MMP1 (0.43) MMP1MMP3MMP9TDP1PAX8
SCHEMBL12285382 0.79 PAX8 (0.51) TDP1PAX8MAPTNPSR1PSMB8
SCHEMBL17553573 0.79 MMP1 (0.39) MMP1MMP3MMP9TDP1PAX8
SCHEMBL17553595 0.79 CCKBR (0.41) —

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-2016029324-A1 AZASULFURYLPEPTIDE-BASED CD36 MODULATORS AND USES THEREOF RSEM, LIMITED PARTNERSHIP (CA) 2016-03-03 — — WO disclosed
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