SCHEMBL30983336

SCHEMBL30983336

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.41
▸ CA2 P00918 4/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ SIRT2 Q8IXJ6 7/20 0.37
▸ SIRT1 Q96EB6 5/20 0.37
▸ SIRT3 Q9NTG7 3/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL25360990 0.86 FURIN (0.40) ROCK2
SCHEMBL17312927 0.86 FURIN (0.40) ROCK2
SCHEMBL25360995 0.86 FURIN (0.40) ROCK2
SCHEMBL24235147 0.85 CA2 (0.37) CA1CA2KMT2A
SCHEMBL31045340 0.85 CA1 (0.41) CA1CA2SIRT5KDM4EMAPT
SCHEMBL23798630 0.81 CASP1 (0.38) GAA
SCHEMBL27143504 0.81 CASP1 (0.38) GAA
SCHEMBL23071878 0.81 CASP1 (0.38) GAA
SCHEMBL21163027 0.80 CA1 (0.43) CA1CA2SIRT5KDM4EMAPT
SCHEMBL29335201 0.80 CA1 (0.45) CA1CA2SIRT5KDM4EMAPT

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-2024153185-A1 ANTIBODY-DRUG CONJUGATE CONTAINING BCL-2 FAMILY PROTEOLYSIS AGENT, PREPARATION METHOD THEREFOR, AND USE THEREOF 苏州宜联生物医药有限公司 2024-07-25 — — WO disclosed
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