SCHEMBL8777901

SCHEMBL8777901

COc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.52
CNR2 P34972 3/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FAAH O00519 1/20 0.47
F10 P00742 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
LPAR1 Q92633 1/20 0.42

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
SCHEMBL8777892 0.87 EPHX2 (0.48) EPHX2CNR2NPSR1MAPT
SCHEMBL8777856 0.84 MAPT (0.51) EPHX2NPSR1MAPT
SCHEMBL8777858 0.80 F10 (0.49) EPHX2MEN1KMT2AF10MAPT
SCHEMBL8777894 0.79 F10 (0.39) CNR2MEN1KMT2AFAAHF10
SCHEMBL8777963 0.77 EPHX2 (0.47) EPHX2CNR2NPSR1MAPTALDH1A1
SCHEMBL8777941 0.76 F10 (0.43) MEN1KMT2AF10MAPTLPAR1
SCHEMBL8777926 0.75 KMT2A (0.63) MEN1KMT2AF10GAAALDH1A1
Hydrochloric Acid SCHEMBL8946231 0.75 F10 (0.42) MEN1KMT2AF10MAPTLPAR1
SCHEMBL8777906 0.74 F10 (0.47) EPHX2MEN1KMT2AF10MAPT
SCHEMBL8778117 0.74 F10 (0.47) EPHX2MEN1KMT2AF10MAPT

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