SCHEMBL10338646

SCHEMBL10338646

CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 10/20 0.60
▸ SIRT1 Q96EB6 7/20 0.60
▸ SIRT3 Q9NTG7 4/20 0.60
▸ SLC6A5 Q9Y345 1/20 0.56
▸ ITGB3 P05106 1/20 0.54
▸ ITGA2B P08514 1/20 0.54
▸ TLR2 O60603 4/20 0.54

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
SCHEMBL28258462 0.99 SIRT2 (0.59) SIRT2SIRT1SIRT3SLC6A5ITGB3
SCHEMBL28258464 0.99 SIRT2 (0.59) SIRT2SIRT1SIRT3SLC6A5ITGB3
SCHEMBL28563745 0.94 SLC6A5 (0.67) SIRT2SIRT1SIRT3SLC6A5ITGB3
SCHEMBL28563746 0.94 SLC6A5 (0.67) SIRT2SIRT1SIRT3SLC6A5ITGB3
SCHEMBL29879976 0.89 MEN1 (0.53) SIRT2SIRT1SIRT3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8823455 0.87 MEN1 (0.52) SIRT2SIRT1SIRT3ITGB3ITGA2B
SCHEMBL9838107 0.87 MEN1 (0.53) SIRT2SIRT1SIRT3
SCHEMBL22271575 0.87 MEN1 (0.53) SIRT2SIRT1SIRT3
SCHEMBL4065856 0.87 MEN1 (0.53) SIRT2SIRT1SIRT3
SCHEMBL5017052 0.87 MEN1 (0.53) SIRT2SIRT1SIRT3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2091099-A — — None — — JP disclosed
JP-58172399-A — — None — — JP disclosed
JP-H0291099-A 1-DEOXYMURAMYLPEPTIDE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1990-03-30 — — JP disclosed
JP-S58172399-A MURAMYL TRIPEPTIDE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1983-10-11 — — JP disclosed
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