SCHEMBL31243057

SCHEMBL31243057

CCOC(=O)[C@H](CCCC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.57
▸ CTSS P25774 1/20 0.57
▸ HTT P42858 1/20 0.54
▸ SIRT2 Q8IXJ6 4/20 0.54
▸ SIRT1 Q96EB6 4/20 0.54
▸ SIRT3 Q9NTG7 1/20 0.54
▸ SIRT5 Q9NXA8 1/20 0.53
▸ FOLH1 Q04609 2/20 0.53
▸ CTSK P43235 2/20 0.50

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
SCHEMBL7286347 0.92 FOLH1 (0.55) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL3624634 0.92 FOLH1 (0.55) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL3624630 0.92 FOLH1 (0.55) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL21221196 0.91 SIRT2 (0.56) CTSLCTSSHTTSIRT2SIRT1
SCHEMBL21221198 0.91 SIRT2 (0.56) CTSLCTSSHTTSIRT2SIRT1
SCHEMBL31243031 0.90 SIRT2 (0.62) CTSLCTSSHTTSIRT2SIRT1
SCHEMBL8848864 0.89 SIRT2 (0.62) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL10908895 0.88 PRSS1 (0.57) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL10908888 0.88 PRSS1 (0.57) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL21221151 0.87 FOLH1 (0.52) CTSLCTSSSIRT2SIRT1SIRT3

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-118979060-A Method for encoding lysine acylated protein by high-efficiency gene 中国药科大学 2024-11-19 — — CN disclosed
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