SCHEMBL17553512

SCHEMBL17553512

C=CCOC(=O)N[C@@H](C)C(=O)NN(C(=O)OCC1c2ccccc2-c2ccccc21)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ REN P00797 2/20 0.37
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ PSMB8 P28062 1/20 0.35
▸ PSMB9 P28065 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL17553669 0.94 PTPN1 (0.37) TDP1PAX8RENTLR2TLR1
SCHEMBL17553573 0.88 MMP1 (0.39) MMP1MMP3MMP9TDP1PAX8
SCHEMBL17553448 0.87 MMP1 (0.38) MMP1MMP3MMP9TDP1PAX8
SCHEMBL17553607 0.86 ALDH1A1 (0.38) ALDH1A1KMT2A
SCHEMBL17553572 0.86 MMP1 (0.43) MMP1MMP3MMP9TDP1PAX8
SCHEMBL17553513 0.86 MMP1 (0.46) MMP1MMP3MMP9TDP1PAX8
SCHEMBL17553585 0.84 CASP3 (0.42) ALDH1A1PTPN1
SCHEMBL17553508 0.82 CCKAR (0.38) —
SCHEMBL17553672 0.82 MMP1 (0.42) MMP1MMP3MMP9TDP1PAX8
SCHEMBL23922657 0.78 MDM2 (0.48) TDP1PAX8RENTLR2TLR1

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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