SCHEMBL20303929

SCHEMBL20303929

CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.61
▸ CA2 P00918 5/20 0.61
▸ PDF Q9HBH1 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.46
▸ GLA P06280 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ MAPT P10636 6/20 0.45
▸ TDP1 Q9NUW8 5/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ SSTR3 P32745 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42

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
SCHEMBL20303925 1.00 CA1 (0.61) CA1CA2PDFSIRT5GLA
SCHEMBL29400619 0.92 CA1 (0.51) CA1CA2PDFSIRT5GLA
SCHEMBL30458236 0.88 ALDH1A1 (0.58) CA1CA2PDFSIRT5GLA
SCHEMBL22128494 0.86 PDF (0.52) CA1CA2PDFSIRT5GLA
SCHEMBL22128495 0.86 PDF (0.52) CA1CA2PDFSIRT5GLA
SCHEMBL30746081 0.85 DPP8 (0.48) CA1CA2PDFGLAALDH1A1
SCHEMBL20067639 0.85 CA1 (0.64) CA1CA2SIRT5GLASIRT1
SCHEMBL29400857 0.84 SIRT5 (0.56) SIRT5SIRT1MAPT
SCHEMBL8377514 0.83 PDF (0.65) CA1CA2PDFSIRT5ALDH1A1
SCHEMBL8379032 0.83 PDF (0.49) CA1CA2PDFSIRT5ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555280-A1 DUAL-ENZYME RESPONSIVE PEPTIDES The Regents of The University of California (US) 2019-10-23 — — EP disclosed
WO-2018118902-A1 DUAL-ENZYME RESPONSIVE PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-28 — — WO disclosed
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