SCHEMBL28876283

SCHEMBL28876283

CC(C)(C)OC(=O)C1OCCN(C(=O)O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ F2 P00734 1/20 0.30

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
SCHEMBL23388919 0.88 USP2 (0.41) USP2SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL27472535 0.74 PDE4A (0.36) MAPK1KDM4EMAPTTHRBHRH3
SCHEMBL17667653 0.73 — —
SCHEMBL29152566 0.71 MAPK1 (0.41) USP2SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL7383427 0.65 MAPK1 (0.41) SMN1; SMN2MAPK1
SCHEMBL17667648 0.65 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL28876266 0.64 USP2 (0.33) USP2SMN1; SMN2
SCHEMBL7146602 0.63 L3MBTL1 (0.37) SMN1; SMN2MAPTHRH3
SCHEMBL1563999 0.63 USP2 (0.49) USP2SMN1; SMN2RECQL
SCHEMBL28389874 0.63 USP2 (0.41) USP2SMN1; SMN2KDM4EMAPTTHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115279368-B Heteroaryl compounds 维瓦斯治疗公司 2024-05-24 — — CN disclosed
CN-115279368-A Heteroaryl compounds 维瓦斯治疗公司 2022-11-01 — — CN disclosed
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