SCHEMBL30163113

SCHEMBL30163113

COC(=O)c1cnn(CCOCCO)c1.Cc1nn(CCOCCO)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ JAK3 P52333 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ GRM2 Q14416 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ ALKBH1 Q13686 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.30
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 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
SCHEMBL20541050 0.86 L3MBTL1 (0.44) L3MBTL1JAK3ALDH1A1KDM4EHPGD
SCHEMBL30163168 0.85 L3MBTL1 (0.40) L3MBTL1ALDH1A1KDM4EHPGDKMT2A
SCHEMBL30163004 0.78 L3MBTL1 (0.34) L3MBTL1CSNK2A1
SCHEMBL30162815 0.77 L3MBTL1 (0.35) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL22064000 0.73 L3MBTL1 (0.49) L3MBTL1JAK3ALDH1A1KDM4EHPGD
SCHEMBL30872639 0.73 L3MBTL1 (0.48) L3MBTL1JAK3ALDH1A1KDM4EHPGD
SCHEMBL19434598 0.72 LMNA (0.42) L3MBTL1HPGDKMT2AABCB1ABCG2
SCHEMBL25122904 0.71 L3MBTL1 (0.40) L3MBTL1JAK3ALDH1A1KDM4EHPGD
SCHEMBL25123873 0.71 L3MBTL1 (0.40) L3MBTL1JAK3ALDH1A1KDM4EHPGD
SCHEMBL27166456 0.71 L3MBTL1 (0.40) L3MBTL1JAK3ALDH1A1KDM4EHPGD

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
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO claimed
WO-2023277517-A1 ACYCLIC NUCLEIC ACID MIMIC COMPRISING PENTACYCLIC BASE 동아대학교 산학협력단 2023-01-05 — — WO disclosed
Send feedback