SCHEMBL21769208

SCHEMBL21769208

CC1(CCC(=O)NCCOCCOCCNC(=O)C(CCC(N)O)NC(=O)OCc2ccccc2)N=N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 8/20 0.48
▸ CAPN1 P07384 1/20 0.46
▸ CAPN2 P17655 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SIRT1 Q96EB6 6/20 0.43
▸ SIRT3 Q9NTG7 5/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSS P25774 1/20 0.43
▸ TPSAB1 Q15661 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ CACNA1F O60840 1/20 0.42
▸ CACNA1D Q01668 1/20 0.42
▸ CACNA1S Q13698 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42

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
SCHEMBL16384695 0.91 SMN1; SMN2 (0.53) SIRT2CAPN1CAPN2SMN1; SMN2LMNA
SCHEMBL17804044 0.81 SMN1; SMN2 (0.53) SIRT2CAPN1CAPN2SMN1; SMN2LMNA
SCHEMBL25273831 0.76 SIRT2 (0.59) SIRT2CAPN1CAPN2SMN1; SMN2LMNA
SCHEMBL25273830 0.76 SIRT2 (0.59) SIRT2CAPN1CAPN2SMN1; SMN2LMNA
SCHEMBL30634608 0.76 SMN1; SMN2 (0.53) SIRT2CAPN1CAPN2SMN1; SMN2LMNA
SCHEMBL15382100 0.75 LMNA (0.57) SIRT2CAPN1CAPN2SMN1; SMN2LMNA
SCHEMBL25132765 0.74 SYK (0.49) SIRT2CAPN1CAPN2SMN1; SMN2LMNA
SCHEMBL21422694 0.74 SMN1; SMN2 (0.59) SIRT2CAPN1CAPN2SMN1; SMN2LMNA
SCHEMBL16384896 0.74 SMN1; SMN2 (0.59) SIRT2CAPN1CAPN2SMN1; SMN2LMNA
SCHEMBL21769361 0.74 CTSL (0.53) SIRT2CAPN1CAPN2SIRT1SIRT3

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-3613755-A1 LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE Novartis AG (CH) 2020-02-26 — — EP disclosed
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