SCHEMBL8777850

SCHEMBL8777850

CC(C)(C)c1cc(C(=O)Nc2cc(Cl)c(Cl)cc2N(C(N)=O)C23CC4CC(CC(C4)C2)C3)cc(C(C)(C)C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.38
SCN9A Q15858 1/20 0.36
MAOB P27338 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX7 Q99572 2/20 0.32
P2RX5 Q93086 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
LMNA P02545 2/20 0.32
SERPINE1 P05121 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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 0.85 SIGMAR1 (0.37) HSD11B1MAOBALDH1A1GAATDP1
SCHEMBL8777894 0.83 F10 (0.39) GAAP2RX7LMNAMAPT
SCHEMBL8777856 0.79 MAPT (0.51) MAPTNPSR1EPHX2
SCHEMBL8777967 0.79 MEN1 (0.35) MAOBP2RX7P2RX4HDAC3HDAC4
SCHEMBL8777892 0.66 EPHX2 (0.48) MAPTNPSR1EPHX2
SCHEMBL8844428 0.66 NPC1 (0.65) ALDH1A1GAATDP1NR1H4MAPT
SCHEMBL8777963 0.65 EPHX2 (0.47) ALDH1A1MAPTNPSR1EPHX2
SCHEMBL8777901 0.65 EPHX2 (0.52) ALDH1A1GAALMNAMAPTNPSR1
SCHEMBL8777855 0.64 LMNA (0.38) ALDH1A1LMNARECQLMAPT
SCHEMBL8778024 0.63 EPHX2 (0.46) ALDH1A1MAPTEPHX2

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