SCHEMBL25680283

SCHEMBL25680283

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.40
▸ SIRT2 Q8IXJ6 8/20 0.40
▸ SIRT1 Q96EB6 7/20 0.40
▸ SIRT3 Q9NTG7 3/20 0.40
▸ CHRNA1 P02708 2/20 0.39
▸ CHRNG P07510 2/20 0.39
▸ CHRNB1 P11230 2/20 0.39
▸ CHRND Q07001 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ FAP Q12884 2/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.37
▸ MAP1LC3B Q9GZQ8 1/20 0.37
▸ CTSD P07339 1/20 0.37

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
SCHEMBL18459644 0.92 SIRT2 (0.42) FURINSIRT2SIRT1SIRT3CHRNA1
SCHEMBL24774284 0.92 FURIN (0.40) FURINSIRT2SIRT1SIRT3CHRNA1
SCHEMBL17490743 0.91 SIRT2 (0.41) FURINSIRT2SIRT1SIRT3CHRNA1
SCHEMBL27278330 0.91 SIRT2 (0.41) FURINSIRT2SIRT1SIRT3CHRNA1
SCHEMBL25726157 0.90 CHRND (0.41) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL25726153 0.90 CHRND (0.41) FURINCHRNA1CHRNGCHRNB1CHRND
SCHEMBL23515087 0.90 SIRT2 (0.46) FURINSIRT2SIRT1SIRT3
SCHEMBL24164331 0.88 FAP (0.41) FURINSIRT2SIRT1SIRT3HTT
SCHEMBL25680714 0.88 FAP (0.43) FURINSIRT2SIRT1SIRT3HTT
SCHEMBL19681567 0.88 FURIN (0.39) FURINCHRNA1CHRNGCHRNB1CHRND

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-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 — — WO disclosed
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