SCHEMBL8777969

SCHEMBL8777969

CCCCCCCNC(=O)Nc1ccccc1NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
EPHX1 P07099 7/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49
P2RY1 P47900 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NAAA Q02083 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
NR5A2 O00482 1/20 0.45
NR5A1 Q13285 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2R P25116 1/20 0.44
TOP1 P11387 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 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
SCHEMBL8777938 0.89 EPHX2 (0.49) EPHX2EPHX1ALDH1A1HTTP2RY1
SCHEMBL8778024 0.88 EPHX2 (0.46) EPHX2EPHX1ALDH1A1HTTPTGS1
SCHEMBL8777917 0.88 NAAA (0.45) EPHX2EPHX1ALDH1A1HTTP2RY1
SCHEMBL8777810 0.87 EPHX2 (0.48) EPHX2EPHX1ALDH1A1HTTPOLB
SCHEMBL8778117 0.87 F10 (0.47) EPHX2EPHX1PTGS1PTGS2NR5A2
SCHEMBL8777906 0.87 F10 (0.47) EPHX2EPHX1PTGS1PTGS2NR5A2
SCHEMBL8777924 0.87 P2RY1 (0.50) EPHX2EPHX1ALDH1A1HTTPOLB
SCHEMBL8777918 0.84 P2RY1 (0.54) EPHX2EPHX1ALDH1A1HTTPOLB
SCHEMBL8476073 0.84 L3MBTL1 (0.57) EPHX2EPHX1ALDH1A1HTTPOLB
SCHEMBL8777887 0.83 EPHX2 (0.47) EPHX2EPHX1ALDH1A1HTTPOLB

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