SCHEMBL13768418

SCHEMBL13768418

O=C(NC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)NC12CC3CCCC(C1)C(C3)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
EPHX2 P34913 10/20 0.53
EPHX1 P07099 4/20 0.52
LMNA P02545 2/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
TGM2 P21980 1/20 0.46
CCR6 P51684 3/20 0.44
MCHR1 Q99705 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
SCHEMBL13768417 0.91 EPHX2 (0.53) GAAEPHX2EPHX1LMNAUSP2
SCHEMBL4011026 0.90 GAA (0.62) GAAEPHX2EPHX1LMNAUSP2
SCHEMBL13768773 0.83 LMNA (0.56) GAAEPHX2EPHX1LMNAUSP2
SCHEMBL14070435 0.81 EPHX2 (0.52) GAAEPHX2EPHX1LMNAUSP2
SCHEMBL4013218 0.80 LMNA (0.63) GAAEPHX2EPHX1LMNAUSP2
SCHEMBL13768400 0.79 EPHX2 (0.52) EPHX2EPHX1LMNAUSP2ALDH1A1
SCHEMBL4010903 0.79 LMNA (0.69) GAAEPHX2EPHX1LMNAUSP2
SCHEMBL13768771 0.78 EPHX2 (0.58) EPHX2EPHX1LMNAUSP2
SCHEMBL14071384 0.77 USP2 (0.51) EPHX2EPHX1LMNAUSP2
SCHEMBL14071386 0.77 HSD11B1 (0.51) EPHX2EPHX1LMNAUSP2

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-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed