SCHEMBL8777865

SCHEMBL8777865

CC(C)(C)c1cc(C(=O)Nc2ccccc2N)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.58
HDAC2 Q92769 9/20 0.58
HDAC3 O15379 8/20 0.58
MAPK1 P28482 1/20 0.58
TOP1 P11387 1/20 0.54
TOP2A P11388 1/20 0.54
TOP2B Q02880 1/20 0.54
PTGS1 P23219 2/20 0.54
NCOR2 Q9Y618 4/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52

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
SCHEMBL3661171 0.85 TOP1 (0.57) TOP1TOP2ATOP2BPTGS1
SCHEMBL11802443 0.84 HPGD (0.59) MAPK1TOP1TOP2ATOP2B
SCHEMBL8844428 0.83 NPC1 (0.65) MAPK1TOP1TOP2ATOP2B
SCHEMBL9417251 0.82 MEN1 (0.60)
SCHEMBL8778033 0.80 HDAC1 (0.50) HDAC1HDAC2HDAC3MAPK1HDAC4
SCHEMBL5223727 0.79 PTGS1 (0.72) HDAC1HDAC2HDAC3MAPK1PTGS1
SCHEMBL9831396 0.79 HDAC1 (0.48) HDAC1HDAC2MAPK1TOP1TOP2A
SCHEMBL9320516 0.79 HDAC1 (0.69) HDAC1HDAC2HDAC3MAPK1TOP1
SCHEMBL24925441 0.78 HDAC1 (0.54) HDAC1HDAC2HDAC3MAPK1PTGS1
SCHEMBL8777972 0.78 TOP1 (0.48) TOP1TOP2ATOP2B

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-0665216-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-12-29 EP disclosed
US-5576335-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1996-11-19 US disclosed
EP-0665216-A1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1995-08-02 EP disclosed