SCHEMBL4802393

SCHEMBL4802393

CN(C(=O)OC(C)(C)C)C1CCN(CCOc2cccc(CC(=O)O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.50
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.42
FAAH O00519 2/20 0.42
HRH1 P35367 1/20 0.42
OPRM1 P35372 1/20 0.42
LTA4H P09960 2/20 0.41

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
SCHEMBL13850446 0.91 CCR5 (0.49) CCR5KDM4EALDH1A1LMNAGAA
SCHEMBL4136272 0.83 MEN1 (0.48) CCR5KDM4EKMT2A
SCHEMBL30696783 0.80 EPHX2 (0.56) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL4145891 0.78 LTA4H (0.56) KDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL803672 0.76 SIGMAR1 (0.59) OPRM1
SCHEMBL30696817 0.75 EPHX2 (0.56) KDM4EALDH1A1KMT2AMAOBFAAH
SCHEMBL26985807 0.75 KDM4E (0.55) KDM4EALDH1A1GAAHTTSMN1; SMN2
SCHEMBL30696767 0.75 EPHX2 (0.58) KDM4EMAOBFAAHHRH1
SCHEMBL31755688 0.74 BCHE (0.43) KDM4EALDH1A1LMNAGAAHTT
SCHEMBL31506023 0.74 BCHE (0.43) KDM4EALDH1A1LMNAGAAHTT

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