SCHEMBL8777963

SCHEMBL8777963

CC(C)(C)c1cc(C(=O)Nc2cccnc2NC(=O)NC23CC4CC(CC(C4)C2)C3)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL8777856 0.80 MAPT (0.51) EPHX2MAPTNPSR1
SCHEMBL8777892 0.79 EPHX2 (0.48) EPHX2MAPTNPSR1CNR2
SCHEMBL8777901 0.77 EPHX2 (0.52) EPHX2ALDH1A1MAPTHPGDNPSR1
SCHEMBL8777967 0.76 MEN1 (0.35) TSHRMAPK1NPSR1CNR2
SCHEMBL8777924 0.74 P2RY1 (0.50) EPHX2ALDH1A1MAPT
SCHEMBL8803890 0.72 EPHX2 (0.54) EPHX2TSHRMAPK1RAB9AMAPT
SCHEMBL8804609 0.72 EPHX2 (0.54) EPHX2MAPK1
SCHEMBL8803889 0.72 EPHX2 (0.54) EPHX2TSHRMAPK1RAB9AMAPT
SCHEMBL3891472 0.68 GLA (0.50) RAB9AALDH1A1NPSR1
SCHEMBL3900251 0.67 PDE4D (0.60) RAB9AALDH1A1

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