SCHEMBL21450347

SCHEMBL21450347

CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.49
▸ CA1 P00915 4/20 0.49
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MAPT P10636 5/20 0.43
▸ TDP1 Q9NUW8 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL16424839 0.97 CA1 (0.52) CA2CA1MMP1MMP3MMP9
SCHEMBL31726507 0.94 CA1 (0.50) CA2CA1MMP1MMP3MMP9
SCHEMBL18819662 0.89 CA2 (0.51) CA2CA1MMP1MMP3MMP9
SCHEMBL18831956 0.89 CA2 (0.51) CA2CA1MMP1MMP3MMP9
SCHEMBL22952255 0.88 CA1 (0.49) CA2CA1MMP1MMP3MMP9
SCHEMBL16862492 0.87 CA1 (0.50) CA2CA1MMP1MMP3MMP9
SCHEMBL19776121 0.87 CA1 (0.50) CA2CA1MMP1MMP3MMP9
SCHEMBL31121268 0.87 CA1 (0.44) CA2CA1MMP1MMP3MMP9
SCHEMBL22315797 0.86 NPY4R (0.38) SIRT1
SCHEMBL20739105 0.86 NPY4R (0.38) SIRT1

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-2019195665-A1 CAMPTOTHECIN PEPTIDE CONJUGATES SEATTLE GENETICS, INC. (US) 2019-10-10 — — WO disclosed
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