SCHEMBL8804609

SCHEMBL8804609

CC(C)(C)c1cc(CCc2ccccc2NC(=O)NC23CC4CC(CC(C4)C2)C3)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.54
MAPK1 P28482 1/20 0.46
EPHX1 P07099 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
LMNA P02545 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
SCHEMBL8804622 0.82 P2RY1 (0.54) EPHX2EPHX1SIGMAR1
SCHEMBL8804204 0.80 NPC1 (0.43) EPHX2MAPK1LMNA
SCHEMBL8805284 0.79 CFD (0.48) MAPK1LMNA
SCHEMBL8804785 0.79 P2RY1 (0.47) LMNA
SCHEMBL8806034 0.78 KMT2A (0.59) EPHX2EPHX1LMNA
SCHEMBL8803889 0.78 EPHX2 (0.54) EPHX2MAPK1SIGMAR1
SCHEMBL8803890 0.78 EPHX2 (0.54) EPHX2MAPK1SIGMAR1
SCHEMBL8803651 0.78 KMT2A (0.61) EPHX2EPHX1LMNA
SCHEMBL8805456 0.78 KMT2A (0.61) EPHX2EPHX1LMNA
SCHEMBL8804783 0.78 KMT2A (0.61) EPHX2EPHX1LMNA

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-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed