SCHEMBL24642922

SCHEMBL24642922

CCCN(CCC)CCCC[C@H](NC(=O)[C@@H](NO)C(C)C)C(=O)NCC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 2/20 0.34
▸ SIRT6 Q8N6T7 1/20 0.34
▸ SIRT2 Q8IXJ6 2/20 0.33
▸ FURIN P09958 4/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ PCSK6 P29122 1/20 0.33
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ BIRC2 Q13490 1/20 0.31

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
SCHEMBL26499410 0.95 SIRT1 (0.37) SIRT1SIRT6SIRT2FURINSIRT3
SCHEMBL26499409 0.93 SIRT2 (0.36) SIRT1SIRT6SIRT2FURINSIRT3
SCHEMBL24642304 0.91 ECE1 (0.36) SIRT1SIRT6SIRT2FURINSIRT3
SCHEMBL24642472 0.90 SIRT1 (0.32) SIRT1SIRT6SIRT2FURINSIRT3
SCHEMBL26542866 0.89 SIRT2 (0.33) SIRT1SIRT6SIRT2FURINSIRT3
SCHEMBL24642327 0.88 SIRT2 (0.34) SIRT1SIRT6SIRT2FURINPRSS1
SCHEMBL24642540 0.87 FURIN (0.32) SIRT1SIRT6FURINPCSK6
SCHEMBL24642686 0.86 ECE1 (0.36) SIRT1SIRT6SIRT2FURINSIRT3
SCHEMBL24642579 0.85 SIRT1 (0.34) SIRT1SIRT6SIRT2FURINSIRT3
SCHEMBL24642307 0.85 SIRT2 (0.38) SIRT1SIRT6SIRT2FURINSIRT3

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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