SCHEMBL14148705

SCHEMBL14148705

CC(C)(C)OC(=O)N1CCC2(CC1)CN(CCOc1cccc(CC(=O)O)c1)CCO2

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.46
EPHX2 P34913 5/20 0.44
GPR119 Q8TDV5 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
GLS O94925 1/20 0.39
PLA2G4B P0C869 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
SCHEMBL4147703 0.92 EPHX2 (0.45) MGLLEPHX2GPR119GLS
SCHEMBL30696783 0.84 EPHX2 (0.56) EPHX2GPR119KDM4E
SCHEMBL4144799 0.83 KDM4E (0.46) MGLLKDM4ETP53TSHRGLS
SCHEMBL4130775 0.82 MGLL (0.43) MGLLKDM4ETP53TSHRGLS
SCHEMBL23301876 0.80 EPHX2 (0.45) MGLLEPHX2GPR119KDM4E
SCHEMBL30696817 0.79 EPHX2 (0.56) EPHX2KDM4EPLA2G4B
SCHEMBL17324842 0.79 MGLL (0.70) MGLLGPR119TSHR
SCHEMBL30696767 0.78 EPHX2 (0.58) EPHX2KDM4EPLA2G4B
Acetic Acid SCHEMBL29910540 0.78 EPHX2 (0.43) MGLLEPHX2GPR119
Acetic Acid SCHEMBL23303229 0.78 EPHX2 (0.43) MGLLEPHX2GPR119

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
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed