SCHEMBL17553516

SCHEMBL17553516

CNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)N(Cc1ccc(F)cc1)NC(=O)[C@H](C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ CA2 P00918 4/20 0.42
▸ CA1 P00915 3/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 2/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ PSMB9 P28065 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ REN P00797 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CCKBR P32239 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CCKAR P32238 1/20 0.37

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
SCHEMBL17553515 0.96 MMP1 (0.49) MMP1MMP3MMP9CA2CA1
SCHEMBL17553452 0.93 MMP1 (0.46) MMP1MMP3MMP9CA2CA1
SCHEMBL17553611 0.90 MMP1 (0.43) MMP1MMP3MMP9CA2CA1
SCHEMBL17553672 0.89 MMP1 (0.42) MMP1MMP3MMP9CA2CA1
SCHEMBL17553673 0.85 MMP1 (0.45) MMP1MMP3MMP9CA2CA1
SCHEMBL17553572 0.81 MMP1 (0.43) MMP1MMP3MMP9PAX8TDP1
SCHEMBL17553609 0.79 REN (0.42) PAX8TDP1CTSSCTSKPSMB8
SCHEMBL17553513 0.76 MMP1 (0.46) MMP1MMP3MMP9CA2CA1
SCHEMBL17553447 0.75 MMP1 (0.59) MMP1MMP3MMP9CA2CA1
SCHEMBL17553449 0.75 GHSR (0.53) —

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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