SCHEMBL14508019

SCHEMBL14508019

CCOCCn1cc(C(=O)Nc2ccc(N/C(=C\C(=N)C3CCOCC3)C(F)(F)F)nn2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
ALOX5 P09917 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
BRAF P15056 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
HRH2 P25021 2/20 0.31
GCK P35557 1/20 0.30
GLS O94925 1/20 0.30

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
SCHEMBL13701919 0.75 EPHX2 (0.54) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14508017 0.75 EPHX2 (0.51) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14507846 0.72 CCR2 (0.43) BRAF
SCHEMBL14507676 0.72 EPHX2 (0.58) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701906 0.70 EPHX2 (0.70) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702415 0.65 EPHX2 (0.63) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701993 0.65 EPHX2 (0.79) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14507801 0.65 NPC1 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL13701646 0.65 EPHX2 (0.59) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702264 0.64 EPHX2 (0.68) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1

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-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed