SCHEMBL8804103

SCHEMBL8804103

CC(C)(C)c1cc(CCc2ccccc2NC(=O)NC2CCC(N)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MAOB P27338 5/20 0.46
MAOA P21397 3/20 0.46
P2RY1 P47900 2/20 0.43
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR3 P51677 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8807223 0.91 KMT2A (0.48) KMT2AMAOBMAOAP2RY1MEN1
SCHEMBL8805035 0.91 KMT2A (0.48) KMT2AMAOBMAOAP2RY1MEN1
SCHEMBL8806034 0.91 KMT2A (0.59) KMT2AMAOBMAOAP2RY1MEN1
SCHEMBL8806115 0.90 KMT2A (0.47) KMT2AMAOBMAOAP2RY1MEN1
SCHEMBL8805456 0.90 KMT2A (0.61) KMT2AMAOBMAOAP2RY1MEN1
SCHEMBL8804783 0.90 KMT2A (0.61) KMT2AMAOBMAOAP2RY1MEN1
SCHEMBL8803651 0.90 KMT2A (0.61) KMT2AMAOBMAOAP2RY1MEN1
SCHEMBL8803907 0.90 KMT2A (0.61) KMT2AMAOBMAOAP2RY1MEN1
SCHEMBL8802406 0.87 MAOB (0.52) KMT2AMAOBMAOAP2RY1CCR3
SCHEMBL8803605 0.87 P2RY1 (0.45) KMT2AMAOBMAOAP2RY1MEN1

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