SCHEMBL8777858

SCHEMBL8777858

COc1ccc(NC(=O)NC2CCCC2)c(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
EPHX1 P07099 1/20 0.48
EPHX2 P34913 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LPAR1 Q92633 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGDS O60760 1/20 0.44

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
SCHEMBL8777893 0.86 KMT2A (0.59) NPC1RAB9AEPHX1EPHX2MEN1
SCHEMBL8778019 0.84 MAOB (0.67) MEN1KMT2A
SCHEMBL8777941 0.84 F10 (0.43) F10MEN1KMT2AMAPTLPAR1
Hydrochloric Acid SCHEMBL8946231 0.83 F10 (0.42) F10MEN1KMT2AMAPTLPAR1
SCHEMBL8777901 0.80 EPHX2 (0.52) F10EPHX2MEN1KMT2AALDH1A1
SCHEMBL8778117 0.77 F10 (0.47) F10NPC1RAB9AEPHX1EPHX2
SCHEMBL8777906 0.77 F10 (0.47) F10NPC1RAB9AEPHX1EPHX2
SCHEMBL8777896 0.76 USP2 (0.45) F10ALDH1A1LMNAMAPT
SCHEMBL8778033 0.76 HDAC1 (0.50) F10NPC1RAB9AMEN1KMT2A
SCHEMBL21230467 0.74 TAS1R3 (0.71) NPC1RAB9AEPHX1EPHX2MEN1

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