SCHEMBL8804366

SCHEMBL8804366

CC(C)(C)c1cc(CCc2ccccc2NC(=O)N2CC3CCC(CC3)C2)cc(C(C)(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.43
MAOA P21397 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ACHE P22303 2/20 0.41
GAA P10253 4/20 0.39
GRIN2B Q13224 1/20 0.38
BCHE P06276 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
AGTR1 P30556 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 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
SCHEMBL8804771 0.85 SMN1; SMN2 (0.46) MAOBMAOAKMT2AMEN1ACHE
SCHEMBL8804756 0.85 KMT2A (0.52) MAOBMAOAKMT2AMEN1ACHE
SCHEMBL8803850 0.85 KDM4E (0.48) MAOBMAOAKMT2AMEN1ACHE
SCHEMBL8804549 0.83 ALDH1A1 (0.46) MAOBMAOAKMT2AMEN1GAA
SCHEMBL8804828 0.83 FAAH (0.56) MAOBMAOAKMT2AMEN1ACHE
SCHEMBL8804169 0.82 CCR3 (0.43) MAOBMAOAKMT2AMEN1ACHE
SCHEMBL8804511 0.82 MAPT (0.58) MAOBMAOAKMT2AMEN1ACHE
SCHEMBL8805530 0.82 ALDH1A1 (0.43) MAOBMAOAKMT2AMEN1ACHE
SCHEMBL8805865 0.81 TAAR1 (0.63) TAAR1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8805409 0.81 MAOB (0.55) MAOBMAOAACHEBCHEALDH1A1

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