SCHEMBL8778024

SCHEMBL8778024

CCCCCCCNC(=O)Nc1cc(Cl)c(Cl)cc1NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
EPHX1 P07099 7/20 0.45
MAPT P10636 2/20 0.44
NR5A2 O00482 1/20 0.44
NR5A1 Q13285 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 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
SCHEMBL8777969 0.88 EPHX2 (0.52) EPHX2PTGS1PTGS2EPHX1MAPT
SCHEMBL8777938 0.85 EPHX2 (0.49) EPHX2PTGS1PTGS2EPHX1MAPT
SCHEMBL8777906 0.84 F10 (0.47) EPHX2PTGS1PTGS2EPHX1MAPT
SCHEMBL8778117 0.84 F10 (0.47) EPHX2PTGS1PTGS2EPHX1MAPT
SCHEMBL8777917 0.83 NAAA (0.45) EPHX2PTGS1PTGS2EPHX1MAPT
SCHEMBL11781401 0.81 PTGS1 (0.59) PTGS1PTGS2MAPTNR5A2NR5A1
SCHEMBL6543680 0.81 PTGS1 (0.59) PTGS1PTGS2MAPTNR5A2NR5A1
SCHEMBL8777855 0.81 LMNA (0.38) PTGS1PTGS2MAPTNR5A2NR5A1
SCHEMBL8777924 0.80 P2RY1 (0.50) EPHX2PTGS1PTGS2EPHX1MAPT
SCHEMBL11309251 0.79 EPHX1 (0.57) EPHX2EPHX1NR5A2NR5A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed