SCHEMBL13768417

SCHEMBL13768417

CC(C)(C)c1ccc(S(=O)(=O)N2CCC(NC(=O)NC34CC5CCCC(C3)C(C5)C4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.53
LMNA P02545 4/20 0.52
USP2 O75604 1/20 0.52
KMT2A Q03164 2/20 0.50
EPHX1 P07099 2/20 0.49
GAA P10253 2/20 0.48
HSD11B1 P28845 5/20 0.47
TGM2 P21980 1/20 0.46
CCR6 P51684 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL13768418 0.91 GAA (0.55) EPHX2LMNAUSP2EPHX1GAA
SCHEMBL4013218 0.90 LMNA (0.63) EPHX2LMNAUSP2KMT2AEPHX1
SCHEMBL13768773 0.83 LMNA (0.56) EPHX2LMNAUSP2EPHX1GAA
SCHEMBL13768400 0.83 EPHX2 (0.52) EPHX2LMNAUSP2EPHX1ALDH1A1
SCHEMBL13768771 0.81 EPHX2 (0.58) EPHX2LMNAUSP2EPHX1
SCHEMBL14071386 0.80 HSD11B1 (0.51) EPHX2LMNAUSP2EPHX1HSD11B1
SCHEMBL4011026 0.80 GAA (0.62) EPHX2LMNAUSP2EPHX1GAA
SCHEMBL14070435 0.79 EPHX2 (0.52) EPHX2LMNAUSP2EPHX1GAA
SCHEMBL14071384 0.79 USP2 (0.51) EPHX2LMNAUSP2EPHX1
SCHEMBL4017232 0.78 EPHX2 (0.69) EPHX2LMNAUSP2EPHX1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2008112022-A1 4 -PI PERIDINYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-18 WO disclosed