SCHEMBL8804114

SCHEMBL8804114

CCCCC(=O)N1CCN(C(=O)Nc2ccccc2CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.41
MAOB P27338 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MAOA P21397 2/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNB1 Q02641 1/20 0.39
NAMPT P43490 2/20 0.39
LMNA P02545 1/20 0.38
AGTR1 P30556 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL8803850 0.87 KDM4E (0.48) GAAKMT2AMEN1MAOBTAAR1
SCHEMBL8804756 0.85 KMT2A (0.52) GAAKMT2AMEN1MAOBTAAR1
SCHEMBL8804730 0.84 MEN1 (0.43) GAAKMT2AMEN1MAOBMAOA
SCHEMBL8805530 0.83 ALDH1A1 (0.43) GAAKMT2AMEN1MAOBMAOA
SCHEMBL8804511 0.83 MAPT (0.58) GAAKMT2AMEN1MAOBMAOA
SCHEMBL8804549 0.83 ALDH1A1 (0.46) GAAKMT2AMEN1MAOBMAOA
SCHEMBL8805409 0.83 MAOB (0.55) MAOBMAOAACHEALDH1A1KDM4E
SCHEMBL8805865 0.81 TAAR1 (0.63) TAAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8804366 0.79 MAOB (0.43) GAAKMT2AMEN1MAOBTAAR1
SCHEMBL8805383 0.79 ALDH1A1 (0.52) GAAKMT2AMEN1MAOBMAOA

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