SCHEMBL28486381

SCHEMBL28486381

CCCCC(NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)ON

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.63
▸ CTSS P25774 1/20 0.63
▸ SIRT2 Q8IXJ6 14/20 0.62
▸ SIRT1 Q96EB6 11/20 0.62
▸ SIRT3 Q9NTG7 6/20 0.62

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
SCHEMBL17694108 0.91 SIRT2 (0.68) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL7133785 0.89 SIRT2 (0.66) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL14157704 0.87 SIRT2 (0.67) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL14157706 0.87 SIRT2 (0.67) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL17435163 0.87 SIRT2 (0.67) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL18907026 0.87 SIRT2 (0.67) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL17244715 0.87 SIRT5 (0.62) SIRT2SIRT1SIRT3
SCHEMBL8766104 0.86 CTSL (0.76) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL18907028 0.85 FOLH1 (0.72) SIRT2SIRT1SIRT3
SCHEMBL14157463 0.85 FOLH1 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107082747-B Compounds for targeted drug delivery and enhancing siRNA activity 日东电工株式会社 2020-11-20 — — CN disclosed
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