SCHEMBL3714007

SCHEMBL3714007

COCN(C(=O)OC(C)(C)C)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
DPP4 P27487 1/20 0.34
BTK Q06187 1/20 0.33
HSD11B1 P28845 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL22308421 0.93 DPP4 (0.33) DPP4HSD11B1NFKB1NFKB2RELA
SCHEMBL14327679 0.87 CHRM2 (0.34) DPP4HSD11B1NFKB1NFKB2RELA
SCHEMBL13052389 0.87 CHRM2 (0.34) DPP4HSD11B1NFKB1NFKB2RELA
SCHEMBL13052392 0.86 NFKB1 (0.32) DPP4NFKB1NFKB2RELACCR5
SCHEMBL27510109 0.83 EPHX1 (0.39) EPHX1DPP4HSD11B1GAA
SCHEMBL23328804 0.82 NFKB1 (0.36) HSD11B1NFKB1NFKB2RELA
SCHEMBL2822608 0.82 HDAC6 (0.33) NFKB1NFKB2RELA
SCHEMBL7025316 0.81 EPHX2 (0.36) EPHX1BTKGAA
SCHEMBL992260 0.80
SCHEMBL13769592 0.80 EPHX1 (0.37) EPHX1DPP4BTKHSD11B1GAA

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-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed