SCHEMBL26542866

SCHEMBL26542866

CCCC(=O)CNC(=O)[C@H](CCCCN(CCC)CCC)NC(=O)[C@@H](NO)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.33
▸ FURIN P09958 3/20 0.32
▸ SIRT1 Q96EB6 2/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.31
▸ PRSS1 P07477 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ PCSK6 P29122 1/20 0.30

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
SCHEMBL24642922 0.89 SIRT1 (0.34) SIRT2FURINSIRT1SIRT3SIRT6
SCHEMBL24642304 0.89 ECE1 (0.36) SIRT2FURINSIRT1SIRT3SIRT6
SCHEMBL24642472 0.88 SIRT1 (0.32) SIRT2FURINSIRT1SIRT3SIRT6
SCHEMBL24642327 0.86 SIRT2 (0.34) SIRT2FURINSIRT1SIRT6PRSS1
SCHEMBL26499410 0.84 SIRT1 (0.37) SIRT2FURINSIRT1SIRT3SIRT6
SCHEMBL24642686 0.84 ECE1 (0.36) SIRT2FURINSIRT1SIRT3SIRT6
SCHEMBL26496065 0.83 MMP3 (0.33) SIRT2FURINSIRT1SIRT3SIRT6
SCHEMBL24642579 0.83 SIRT1 (0.34) SIRT2FURINSIRT1SIRT3SIRT6
SCHEMBL24642903 0.82 SIRT2 (0.34) SIRT2FURINSIRT1SIRT3SIRT6
SCHEMBL26499409 0.81 SIRT2 (0.36) SIRT2FURINSIRT1SIRT3SIRT6

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
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 — — EP disclosed
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