SCHEMBL14950208

SCHEMBL14950208

CC(C)C(NC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)NN)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 4/20 0.41
▸ MMP3 P08254 1/20 0.39
▸ KLKB1 P03952 1/20 0.39
▸ SIRT2 Q8IXJ6 7/20 0.38
▸ SIRT1 Q96EB6 5/20 0.38
▸ SSTR3 P32745 1/20 0.37
▸ PDF Q9HBH1 1/20 0.37
▸ SIRT3 Q9NTG7 3/20 0.37
▸ LTA4H P09960 1/20 0.36
▸ ECE1 P42892 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ CPB1 P15086 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36

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
SCHEMBL14950214 1.00 FURIN (0.41) FURINMMP3KLKB1SIRT2SIRT1
SCHEMBL17752524 0.83 CTSL (0.43) FURINMMP3KLKB1SIRT2SIRT1
SCHEMBL15699830 0.81 SIRT5 (0.39) FURINMMP3SIRT2SIRT1SIRT3
SCHEMBL21162808 0.81 CTSL (0.38) FURINMMP3SIRT1CPB2
SCHEMBL16156452 0.79 SIRT2 (0.42) FURINSIRT2SIRT1SIRT3SIRT5
SCHEMBL18556695 0.78 SIRT2 (0.42) FURINSIRT2SIRT1SIRT3SIRT5
SCHEMBL24390289 0.77 SIRT1 (0.45) FURINMMP3KLKB1SIRT2SIRT1
SCHEMBL26033422 0.77 SIRT1 (0.45) FURINMMP3KLKB1SIRT2SIRT1
SCHEMBL26017207 0.77 MMP3 (0.43) FURINMMP3KLKB1SIRT2SIRT1
SCHEMBL24906651 0.77 SIRT1 (0.45) FURINMMP3KLKB1SIRT2SIRT1

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-2013067597-A1 IMMUNOMODULATORY CONJUGATES ASCEND BIOPHARMACEUTICALS PTY LTD (AU) 2013-05-16 — — WO disclosed
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