SCHEMBL23259226

SCHEMBL23259226

CCOC(=O)N1CCC(c2ccc(OC(=O)OC(C)(C)C)c(=O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 2/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ DDB1 Q16531 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL23259206 0.86 QDPR (0.47) GPR119NAMPTPDE4BL3MBTL1LMNA
SCHEMBL23250797 0.78 L3MBTL1 (0.49) PDE4BL3MBTL1LMNAGAAALDH1A1
SCHEMBL23259228 0.77 NAMPT (0.46) NAMPTPDE4BALDH1A1MAPTKDM4E
SCHEMBL8040438 0.76 NAMPT (0.54) GPR119NAMPTLMNATHRBGAA
SCHEMBL23259175 0.75 KDM1A (0.41) NAMPTPDE4BBRD4
SCHEMBL14711416 0.74 GPR119 (0.52) GPR119NAMPTLMNATHRBGAA
SCHEMBL23259163 0.74 KDM1A (0.39) NAMPTPDE4B
SCHEMBL8986417 0.73 NAMPT (0.65) GPR119NAMPTL3MBTL1LMNAALDH1A1
SCHEMBL11437380 0.73 MEN1 (0.50) PDE4BL3MBTL1LMNAGAAALDH1A1
SCHEMBL12117456 0.73 GPR119 (0.65) GPR119NAMPTPDE4BLMNATHRB

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
WO-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 — — WO disclosed
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