SCHEMBL23259206

SCHEMBL23259206

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 2/20 0.47
▸ NAMPT P43490 1/20 0.43
▸ PDE4B Q07343 2/20 0.41
▸ TLR7 Q9NYK1 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.39
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL23259226 0.86 GPR119 (0.45) NAMPTPDE4BDDB1CRBNKDM4E
SCHEMBL23259175 0.79 KDM1A (0.41) NAMPTPDE4BKDM1A
SCHEMBL23259163 0.77 KDM1A (0.39) NAMPTPDE4BKDM1A
SCHEMBL23258889 0.76 KDM1A (0.36) PDE4BTBK1KDM1A
SCHEMBL23259205 0.74 QDPR (0.51) QDPRNAMPT
SCHEMBL23250759 0.74 QDPR (0.70) QDPRTLR7KDM4EPRKAB2PRKAG1
SCHEMBL23258525 0.73 KDM1A (0.42) PDE4BKDM1A
SCHEMBL4402414 0.72 QDPR (0.59) QDPRMAPTPRKAB2PRKAG1PRKAA2
SCHEMBL23258827 0.72 ELANE (0.45) KDM4EMAPTLMNAALDH1A1KDM1A
SCHEMBL23258874 0.72 ELANE (0.45) MAPTGPR119LMNAALDH1A1WNT3A

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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