SCHEMBL8804158

SCHEMBL8804158

CC(C)(C)c1cc(CCc2ccccc2NC(=O)N(C2CCCCCC2)C2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.54
MAOA P21397 7/20 0.54
ACHE P22303 4/20 0.52
BCHE P06276 3/20 0.48
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL8804148 0.90 MAOB (0.41) MAOBMAOAACHELMNAKDM4E
SCHEMBL8806531 0.89 MAOB (0.57) MAOBMAOAACHEBCHELMNA
SCHEMBL8805910 0.89 MAOB (0.57) MAOBMAOAACHEBCHELMNA
SCHEMBL8804174 0.87 MAOB (0.54) MAOBMAOAACHEBCHELMNA
SCHEMBL8804178 0.86 MAOB (0.54) MAOBMAOAACHEBCHELMNA
SCHEMBL8804627 0.84 MAOB (0.49) MAOBMAOAACHEBCHEMEN1
SCHEMBL8803795 0.83 MAOB (0.50) MAOBMAOAACHEBCHELMNA
SCHEMBL8805523 0.83 DCUN1D1 (0.43) MAOBMAOALMNAALDH1A1
SCHEMBL8806070 0.82 ABCC1 (0.51) MAOBMAOAACHELMNAKDM4E
SCHEMBL8812384 0.82 UBE2M (0.54) MAOBMAOAACHEBCHELMNA

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 2 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
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 EP disclosed