SCHEMBL24774284

SCHEMBL24774284

CNCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC)cc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.40
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SIRT2 Q8IXJ6 6/20 0.35
▸ SIRT1 Q96EB6 5/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ NPY4R P50391 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNG P07510 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRND Q07001 1/20 0.35
▸ FAP Q12884 1/20 0.34

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
SCHEMBL22138374 0.92 SIRT5 (0.38) FURINMAP1LC3BSIRT5HTTSIRT2
SCHEMBL22138373 0.92 FURIN (0.45) FURINMAP1LC3BHTTSIRT2SIRT1
SCHEMBL25680283 0.92 FURIN (0.40) FURINMAP1LC3BSIRT5HTTSIRT2
SCHEMBL22702534 0.91 TRPV1 (0.39) FURINMAP1LC3BHTTNPY1RNPY2R
SCHEMBL27434308 0.90 FURIN (0.39) FURINMAP1LC3BSIRT5HTTNPY1R
SCHEMBL24164331 0.88 FAP (0.41) FURINMAP1LC3BSIRT5HTTSIRT2
SCHEMBL19681567 0.88 FURIN (0.39) FURINMAP1LC3BSIRT5HTTNPY1R
SCHEMBL25839420 0.86 SIRT2 (0.38) FURINMAP1LC3BSIRT5HTTSIRT2
SCHEMBL23051312 0.86 MAP1LC3B (0.38) FURINMAP1LC3BSIRT5HTTSIRT2
SCHEMBL25730962 0.86 SIRT2 (0.36) FURINMAP1LC3BSIRT5SIRT2SIRT1

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-2022253033-A1 CHEMICAL COUPLING LINKER AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-12-08 — — WO disclosed
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