SCHEMBL8804549

SCHEMBL8804549

CC(C)(C)c1cc(CCc2ccccc2NC(=O)N2CCOCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
NPY5R Q15761 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL8804756 0.89 KMT2A (0.52) ALDH1A1KDM4ERAB9ATSHRHSD17B10
SCHEMBL8803850 0.89 KDM4E (0.48) ALDH1A1KDM4EHSD17B10GAAMAPT
SCHEMBL8804511 0.88 MAPT (0.58) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL8805383 0.87 ALDH1A1 (0.52) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL8805530 0.86 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRSMN1; SMN2GAA
SCHEMBL8805409 0.85 MAOB (0.55) ALDH1A1KDM4ERAB9ATSHRHSD17B10
SCHEMBL8804366 0.83 MAOB (0.43) ALDH1A1KDM4ETSHRSMN1; SMN2GAA
SCHEMBL8804114 0.83 GAA (0.43) ALDH1A1KDM4EHSD17B10SMN1; SMN2GAA
SCHEMBL8804828 0.83 FAAH (0.56) SMN1; SMN2MEN1KMT2AMAOAMAOB
SCHEMBL8804771 0.83 SMN1; SMN2 (0.46) ALDH1A1KDM4ERAB9ASMN1; SMN2GAA

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