SCHEMBL29100660

SCHEMBL29100660

CCCCCC[C@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.61
SIRT1 Q96EB6 9/20 0.61
CTSL P07711 1/20 0.55
CTSS P25774 1/20 0.55
SIRT3 Q9NTG7 6/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
MME P08473 1/20 0.53
ECE1 P42892 1/20 0.53

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
SCHEMBL29100662 1.00 SIRT2 (0.61) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL29100712 0.94 SIRT2 (0.55) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL29100713 0.94 SIRT2 (0.55) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL5972669 0.89 MME (0.55) CTSLCTSSMMEECE1
SCHEMBL4958111 0.89 MME (0.55) CTSLCTSSMMEECE1
SCHEMBL7821853 0.88 FOLH1 (0.54) SIRT2SIRT1MMEECE1
SCHEMBL2073840 0.88 SIRT2 (0.61) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL17183393 0.88 SIRT2 (0.61) SIRT2SIRT1CTSLCTSSSIRT3
SCHEMBL2776833 0.88 PPARA (0.55) SIRT2SIRT1CTSLCTSS
SCHEMBL42877 0.88 PPARA (0.55) SIRT2SIRT1CTSLCTSS

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-116981486-A Dual mode radiotracer and therapeutic agent 慕尼黑工业大学 2023-10-31 CN disclosed