SCHEMBL25945505

SCHEMBL25945505

CCOCCOCCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ TDP1 Q9NUW8 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ SIRT1 Q96EB6 8/20 0.40
▸ SIRT2 Q8IXJ6 8/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ SIRT3 Q9NTG7 3/20 0.37

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
SCHEMBL20529519 0.83 CA1 (0.45) CA1CA2SIRT5MAPTTDP1
SCHEMBL20529521 0.83 CA1 (0.45) CA1CA2SIRT5MAPTTDP1
SCHEMBL31726507 0.82 CA1 (0.50) CA1CA2SIRT5MAPTTDP1
SCHEMBL24297227 0.81 CA2 (0.41) CA1CA2SIRT5MAPTTDP1
SCHEMBL29078274 0.81 CA2 (0.41) CA1CA2SIRT5MAPTTDP1
SCHEMBL21163027 0.80 CA1 (0.43) CA1CA2SIRT5MAPTTDP1
SCHEMBL20529545 0.80 CA1 (0.41) CA1CA2SIRT5MAPTTDP1
SCHEMBL20529548 0.80 CA1 (0.41) CA1CA2SIRT5MAPTTDP1
SCHEMBL20067639 0.80 CA1 (0.64) CA1CA2SIRT5MAPTTDP1
SCHEMBL16424832 0.80 SIRT5 (0.43) CA1CA2SIRT5MAPTTDP1

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-2023131219-A1 CONJUGATES, COMPOSITIONS AND METHODS OF USE VIRTUOSO BINCO, INC. (US) 2023-07-13 — — WO disclosed
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