SCHEMBL8777917

SCHEMBL8777917

CCCCCCCNC(=O)Nc1cnccc1NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
EPHX2 P34913 3/20 0.42
P2RY1 P47900 1/20 0.42
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
NR5A2 O00482 1/20 0.40
NR5A1 Q13285 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX1 P07099 7/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
CDK2 P24941 1/20 0.39
FLT4 P35916 1/20 0.39

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) NAAAEPHX2P2RY1PTGS1PTGS2
SCHEMBL8777938 0.83 EPHX2 (0.49) EPHX2P2RY1PTGS1PTGS2NR5A2
SCHEMBL8778024 0.83 EPHX2 (0.46) EPHX2PTGS1PTGS2NR5A2NR5A1
SCHEMBL8777924 0.82 P2RY1 (0.50) NAAAEPHX2P2RY1PTGS1PTGS2
SCHEMBL8778117 0.82 F10 (0.47) EPHX2PTGS1PTGS2NR5A2NR5A1
SCHEMBL8777906 0.82 F10 (0.47) EPHX2PTGS1PTGS2NR5A2NR5A1
SCHEMBL6543680 0.77 PTGS1 (0.59) NAAAPTGS1PTGS2NR5A2NR5A1
SCHEMBL11781401 0.77 PTGS1 (0.59) NAAAPTGS1PTGS2NR5A2NR5A1
SCHEMBL8777810 0.76 EPHX2 (0.48) EPHX2P2RY1PTGS1PTGS2EPHX1
SCHEMBL11309251 0.75 EPHX1 (0.57) EPHX2NR5A2NR5A1EPHX1ALDH1A1

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