SCHEMBL8806503

SCHEMBL8806503

CC(C)(C)c1cc(CCc2ccccc2NC(=O)NCC(C)(C)c2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.39
TRPV1 Q8NER1 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 2/20 0.37
ACHE P22303 1/20 0.37
F2R P25116 1/20 0.35
SLC16A3 O15427 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8804023 0.87 HTT (0.41) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8804215 0.87 TRPV1 (0.40) GAATRPV1KMT2AMEN1ALDH1A1
SCHEMBL8804979 0.85 KMT2A (0.42) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8805159 0.82 P2RY1 (0.41) GAATRPV1KMT2AMEN1ALDH1A1
SCHEMBL8806812 0.82 GAA (0.36) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8805313 0.82 GAA (0.43) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL8804222 0.81 MCHR1 (0.39) GAATRPV1KMT2AMEN1ALDH1A1
SCHEMBL8805284 0.79 CFD (0.48) GAATRPV1KMT2AMEN1ALDH1A1
SCHEMBL8804280 0.79 CNR1 (0.51) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL8804953 0.78 TRPV1 (0.49) GAATRPV1KMT2AMEN1SMN1; SMN2

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