SCHEMBL8805409

SCHEMBL8805409

CC(C)(C)c1cc(CCc2ccccc2NC(=O)N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.55
MAOA P21397 4/20 0.55
ACHE P22303 2/20 0.55
KDM4E B2RXH2 3/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FAAH O00519 6/20 0.51
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 2/20 0.49
BCHE P06276 1/20 0.48
EEF2K O00418 1/20 0.48
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL8803850 0.89 KDM4E (0.48) MAOBMAOAACHEKDM4EALDH1A1
SCHEMBL8805195 0.88 KDM4E (0.61) KDM4EALDH1A1LMNAMAPK1FAAH
SCHEMBL8805530 0.87 ALDH1A1 (0.43) MAOBMAOAACHEKDM4EALDH1A1
SCHEMBL8804511 0.87 MAPT (0.58) MAOBMAOAACHEKDM4EUSP2
SCHEMBL8804756 0.87 KMT2A (0.52) MAOBMAOAACHEKDM4EALDH1A1
SCHEMBL8804730 0.86 MEN1 (0.43) MAOBMAOAACHEKDM4EUSP2
SCHEMBL8804549 0.85 ALDH1A1 (0.46) MAOBMAOAKDM4EALDH1A1LMNA
SCHEMBL8804828 0.85 FAAH (0.56) MAOBMAOAACHELMNAFAAH
SCHEMBL8805057 0.83 MAOB (0.69) MAOBMAOAACHEKDM4EALDH1A1
SCHEMBL8804114 0.83 GAA (0.43) MAOBMAOAACHEKDM4EALDH1A1

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