SCHEMBL29022778

SCHEMBL29022778

NCC(=O)[C@](O)(C=O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
LMNA P02545 2/20 0.33
PDE4A P27815 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL29022779 1.00 USP2 (0.35) USP2SLCO1B1LMNAPDE4AL3MBTL1
SCHEMBL28168488 0.86 USP2 (0.37) USP2SLCO1B1LMNAPDE4AL3MBTL1
SCHEMBL6231892 0.79 LMNA (0.36) USP2SLCO1B1LMNAPDE4AL3MBTL1
SCHEMBL28938029 0.79 LMNA (0.36) USP2SLCO1B1LMNAPDE4AL3MBTL1
SCHEMBL7688029 0.79 LMNA (0.36) USP2SLCO1B1LMNAPDE4AL3MBTL1
SCHEMBL27150591 0.79 LMNA (0.36) USP2SLCO1B1LMNAPDE4AL3MBTL1
SCHEMBL28458638 0.76 PDE4A (0.46) USP2SLCO1B1LMNAPDE4AL3MBTL1
SCHEMBL27762445 0.76 PDE4A (0.46) USP2SLCO1B1LMNAPDE4AL3MBTL1
SCHEMBL3691076 0.73 PDE4A (0.32) USP2SLCO1B1LMNAPDE4AL3MBTL1
SCHEMBL23705188 0.72 LMNA (0.40) USP2SLCO1B1LMNAPDE4AL3MBTL1

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-116298235-A Serum metabolism biomarker for diagnosing or monitoring breast cancer and screening method thereof 哈尔滨医科大学 2023-06-23 CN disclosed