SCHEMBL23180461

SCHEMBL23180461

CNC/C(N)=C/N(N)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NC(CCCCN)C(=O)Nc1ccc(COC(C)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 10/20 0.36
▸ SIRT1 Q96EB6 9/20 0.36
▸ EPOR P19235 1/20 0.34
▸ SIRT3 Q9NTG7 4/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ TLR2 O60603 3/20 0.33
▸ SIRT5 Q9NXA8 2/20 0.33
▸ CPB1 P15086 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.32
▸ CCKAR P32238 1/20 0.32
▸ CCKBR P32239 1/20 0.32

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
SCHEMBL25052999 0.79 SIRT2 (0.51) SIRT2SIRT1SIRT3TLR2SIRT5
SCHEMBL22452312 0.77 SIRT2 (0.44) SIRT2SIRT1SIRT3MMP3SIRT5
SCHEMBL26283842 0.73 CPB1 (0.49) SIRT2SIRT1SIRT3MMP3SIRT5
SCHEMBL26281010 0.72 CPB1 (0.47) SIRT2SIRT1SIRT3MMP3SIRT5
SCHEMBL25100592 0.70 SIRT2 (0.42) SIRT2SIRT1SIRT3MMP3TLR2
SCHEMBL24774073 0.70 KLKB1 (0.44) SIRT2SIRT1EPORTLR2SIRT5
SCHEMBL26279273 0.69 SIRT2 (0.44) SIRT2SIRT1SIRT3MMP3SIRT5
SCHEMBL25839420 0.69 SIRT2 (0.38) SIRT2SIRT1SIRT3SIRT5
SCHEMBL23425577 0.69 KLKB1 (0.45) SIRT2SIRT1TLR2
SCHEMBL17090699 0.68 KLKB1 (0.46) SIRT2SIRT1MMP3

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-3797796-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF Mabplex International, Ltd. (CN) 2021-03-31 — — EP disclosed
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