SCHEMBL8777894

SCHEMBL8777894

COc1ccc(N(C(N)=O)C23CC4CC(CC(C4)C2)C3)c(NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
P2RX7 Q99572 2/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CNR2 P34972 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
AHR P35869 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPAR1 Q92633 1/20 0.34

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
SCHEMBL8777889 0.87 SIGMAR1 (0.37) SIGMAR1CNR2GAAMAPT
SCHEMBL8777850 0.83 HSD11B1 (0.38) P2RX7GAAMAPTLMNA
SCHEMBL8777901 0.79 EPHX2 (0.52) F10CNR2MEN1KMT2AFAAH
SCHEMBL8777967 0.78 MEN1 (0.35) P2RX7CNR2MEN1KMT2ATP53
SCHEMBL8778033 0.72 HDAC1 (0.50) F10CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL8777858 0.70 F10 (0.49) F10CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL8778002 0.67 F10 (0.47) F10MEN1KMT2AGAAMAPT
SCHEMBL8777941 0.67 F10 (0.43) F10CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL8777925 0.67 ABCB1 (0.71) CYP1A2MEN1KMT2AMAPTNPC1
SCHEMBL8777856 0.66 MAPT (0.51) MAPT

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