SCHEMBL24642332

SCHEMBL24642332

CC(C)[C@H](NO)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCO

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 5/20 0.46
▸ NMT2 O60551 4/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ FURIN P09958 8/20 0.41
▸ PRSS1 P07477 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ PCSK6 P29122 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL24642654 0.87 SIRT6 (0.46) NMT1NMT2SIRT6SIRT1FURIN
SCHEMBL24642902 0.85 NMT2 (0.33) NMT1NMT2FURIN
SCHEMBL24642903 0.82 SIRT2 (0.34) NMT1NMT2SIRT6SIRT1FURIN
SCHEMBL26496635 0.80 NMT1 (0.46) NMT1NMT2SIRT6SIRT1FURIN
SCHEMBL21437110 0.79 NMT2 (0.45) NMT1NMT2SIRT6SIRT1FURIN
SCHEMBL8355213 0.79 NMT2 (0.45) NMT1NMT2SIRT6SIRT1FURIN
SCHEMBL24642328 0.77 CAPN1 (0.35) NMT1NMT2SIRT6SIRT1FURIN
SCHEMBL29392024 0.75 FOLH1 (0.44) NMT1NMT2FURINPRSS1
SCHEMBL21437116 0.75 NMT2 (0.44) NMT1NMT2SIRT6SIRT1FURIN
SCHEMBL29714775 0.75 NMT2 (0.44) NMT1NMT2SIRT6SIRT1FURIN

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-2022170971-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州宜联生物医药有限公司 2022-08-18 — — WO disclosed
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