SCHEMBL17553671

SCHEMBL17553671

C=CCOC(=O)N[C@@H](C)C(=O)NNSN[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 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.46
▸ MMP3 P08254 2/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ PSMB8 P28062 1/20 0.41
▸ PSMB9 P28065 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ PSMB10 P40306 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ REN P00797 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL17553513 0.83 MMP1 (0.46) MMP1MMP3MMP9TDP1PAX8
SCHEMBL12285382 0.81 PAX8 (0.51) TDP1PAX8PSMB8PSMB9PSMB5
SCHEMBL17553573 0.81 MMP1 (0.39) MMP1MMP3MMP9TDP1PAX8
SCHEMBL8259105 0.80 CTSS (0.50) TDP1PAX8PSMB8PSMB9PSMB5
SCHEMBL17553675 0.80 REN (0.44) TDP1PAX8PSMB8PSMB9PSMB5
SCHEMBL17553664 0.79 ALDH1A1 (0.48) ALDH1A1
SCHEMBL17553672 0.79 MMP1 (0.42) MMP1MMP3MMP9TDP1PAX8
SCHEMBL12285414 0.78 PSMB8 (0.47) TDP1PAX8PSMB8PSMB9PSMB5
SCHEMBL5303063 0.78 MAPT (0.51) MMP1MMP3MMP9TDP1PAX8
SCHEMBL8243065 0.78 MAPT (0.51) MMP1MMP3MMP9TDP1PAX8

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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