SCHEMBL30762656

SCHEMBL30762656

CC(C)(C)OC(=O)NCCOCCOC(=O)n1ccc2cncnc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ DDB1 Q16531 2/20 0.37
▸ CRBN Q96SW2 2/20 0.37
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ SUCNR1 Q9BXA5 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ STK17B O94768 1/20 0.35

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
SCHEMBL27869342 0.78 PIK3CD (0.45) CKS1BSKP1SKP2BCHEBUB1
SCHEMBL24110648 0.77 MTNR1A (0.46) CA12CA1CA2CA9CKS1B
SCHEMBL29264698 0.71 IDO1 (0.37) ADORA2AADORA1CA12CA1CA2
SCHEMBL29264726 0.71 IDO1 (0.37) ADORA2AADORA1CA12CA1CA2
SCHEMBL24205499 0.71 BCHE (0.39) ADORA2AADORA1CA12CA1CA2
SCHEMBL24205682 0.71 CA12 (0.41) CA12CA1CA2CA9STK17B
SCHEMBL24110412 0.69 IRAK4 (0.39) CA1CA2CA9IRAK4
SCHEMBL12885084 0.69 TDP1 (0.56) CA12CA1CA2CA9IDO1
SCHEMBL22276648 0.69 TDP1 (0.56) CA12CA1CA2CA9IDO1
SCHEMBL22276641 0.69 TDP1 (0.56) CA12CA1CA2CA9IDO1

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-115867319-B Drug delivery system for local delivery of therapeutic agents and uses thereof 上海椿安生物医药科技有限公司 2024-01-02 — — CN disclosed
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