SCHEMBL8805166

SCHEMBL8805166

CC(C)(C)c1cc(CCc2cc(F)cc(F)c2NC(=O)NC(C)(C)c2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.35
GAA P10253 4/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
AGTR1 P30556 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ANO1 Q5XXA6 1/20 0.32
F2R P25116 1/20 0.31

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
SCHEMBL8806812 0.88 GAA (0.36) GAAKMT2APTGES2HTTALDH1A1
SCHEMBL8803886 0.82 TRPV1 (0.33) GAAKMT2APTGES2HTTALDH1A1
SCHEMBL8804215 0.81 TRPV1 (0.40) SSTR4GAAPOLBKMT2AHTT
SCHEMBL8805179 0.81 OPRL1 (0.35) GAAKMT2APTGES2LMNAF2R
SCHEMBL8804204 0.72 NPC1 (0.43) POLBLMNASMN1; SMN2
SCHEMBL8803219 0.71 MAOB (0.63) POLBKMT2AALDH1A1
Hydrochloric Acid SCHEMBL8804469 0.70 MAOB (0.62) POLBKMT2AALDH1A1
SCHEMBL8804959 0.69 MAOB (0.59) POLBKMT2AALDH1A1
SCHEMBL8804984 0.69 GAA (0.38) GAAKMT2AALDH1A1LMNA
SCHEMBL8806503 0.69 GAA (0.39) GAAPOLBKMT2AHTTALDH1A1

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