SCHEMBL8804622

SCHEMBL8804622

CC(C)(C)c1cc(CCc2ccccc2NC(=O)NC2C3CC4CC(C3)CC2C4)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.54
EPHX2 P34913 13/20 0.50
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
EPHX1 P07099 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL8806034 0.82 KMT2A (0.59) P2RY1EPHX2MAOAMAOBKMT2A
SCHEMBL8804609 0.82 EPHX2 (0.54) EPHX2SIGMAR1EPHX1
SCHEMBL8805456 0.82 KMT2A (0.61) P2RY1EPHX2MAOAMAOBKMT2A
SCHEMBL8803651 0.82 KMT2A (0.61) P2RY1EPHX2MAOAMAOBKMT2A
SCHEMBL8804783 0.82 KMT2A (0.61) P2RY1EPHX2MAOAMAOBKMT2A
SCHEMBL8803907 0.82 KMT2A (0.61) P2RY1EPHX2MAOAMAOBKMT2A
SCHEMBL8807223 0.81 KMT2A (0.48) P2RY1MAOAMAOBKMT2AGAA
SCHEMBL8805035 0.81 KMT2A (0.48) P2RY1MAOAMAOBKMT2AGAA
SCHEMBL8806115 0.80 KMT2A (0.47) P2RY1MAOAMAOBKMT2AEPHX1
SCHEMBL8804103 0.80 KMT2A (0.47) P2RY1MAOAMAOBKMT2AGAA

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