SCHEMBL8804148

SCHEMBL8804148

CC(C)(C)c1cc(CCc2ccccc2NC(=O)N(C2CCCCC2)C2CCCCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
ABCC1 P33527 1/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 4/20 0.38
GAA P10253 5/20 0.38
LMNA P02545 2/20 0.38
OPRK1 P41145 1/20 0.38
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
AGTR1 P30556 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL8806070 0.91 ABCC1 (0.51) MAOBMAOAABCC1ACHEKMT2A
SCHEMBL8804158 0.90 MAOB (0.54) MAOBMAOAACHEKMT2AGAA
SCHEMBL8805523 0.88 DCUN1D1 (0.43) MAOBMAOALMNAALDH1A1
SCHEMBL8805548 0.84 UBE2M (0.39) MAOBMAOAKMT2AGAAL3MBTL1
SCHEMBL8805456 0.82 KMT2A (0.61) MAOBMAOAKMT2ALMNAMEN1
SCHEMBL8804783 0.82 KMT2A (0.61) MAOBMAOAKMT2ALMNAMEN1
SCHEMBL8803651 0.82 KMT2A (0.61) MAOBMAOAKMT2ALMNAMEN1
SCHEMBL8803907 0.82 KMT2A (0.61) MAOBMAOAKMT2ALMNAMEN1
SCHEMBL8806034 0.81 KMT2A (0.59) MAOBMAOAKMT2ALMNAMEN1
SCHEMBL8804874 0.81 MAOB (0.49) MAOBMAOAACHEKMT2AGAA

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