SCHEMBL8777925

SCHEMBL8777925

COc1ccc(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.71
ABCC1 P33527 2/20 0.71
MAPT P10636 8/20 0.67
NPC1 O15118 8/20 0.67
RAB9A P51151 7/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPK1 P28482 1/20 0.67
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 1/20 0.62
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 2/20 0.59
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL7245174 0.85 NPC1 (0.76) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL29375530 0.81 NPC1 (0.73) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL8778033 0.81 HDAC1 (0.50) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL7917543 0.80 ABCB1 (0.79) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL6705974 0.79 NPC1 (0.70) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL6707064 0.79 MAPT (0.77) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL20356916 0.78 ABCB1 (0.79) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL6705958 0.76 MAPT (0.68) ABCB1ABCC1MAPTNPC1RAB9A
SCHEMBL978808 0.76 RAB9A (0.73) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL978809 0.76 RAB9A (0.73) MAPTNPC1RAB9ASMN1; SMN2MAPK1

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