SCHEMBL7572602

SCHEMBL7572602

CCCCCCCCCCCCC(C(=O)O)[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 16/20 0.49
▸ SIRT1 Q96EB6 11/20 0.49
▸ SIRT3 Q9NTG7 8/20 0.48
▸ CTSL P07711 2/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSB P07858 1/20 0.46

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
SCHEMBL7574554 0.86 SIRT2 (0.50) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL6360378 0.83 SIRT2 (0.49) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL6361685 0.83 SIRT2 (0.49) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL6358711 0.83 CTSL (0.65) CTSLCTSSCTSB
SCHEMBL6361542 0.81 CTSL (0.54) CTSLCTSSCTSB
SCHEMBL8199768 0.78 CTSL (0.66) SIRT2SIRT1CTSLCTSSCTSB
SCHEMBL7348318 0.77 CA2 (0.61) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL13610345 0.77 CA2 (0.61) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL6427219 0.77 CA2 (0.61) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL4982051 0.77 CTSL (0.58) SIRT2SIRT1SIRT3CTSLCTSS

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-2002086139-A1 ANTIBIOTIC AA 896 ANALOGS WYETH HOLDINGS CORPORATION (US) 2002-10-31 — — WO disclosed
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