SCHEMBL8797172

SCHEMBL8797172

CCOC(=O)CNC(=O)CCC(=O)Nc1cc(C)cc(C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
GAA P10253 2/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CNR2 P34972 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 1/20 0.44
LCK P06239 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL9080445 0.89 MAPK1 (0.62) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8798095 0.84 MAPK1 (0.70) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9665242 0.79 MAPK1 (0.70) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9077089 0.78 MAPK1 (0.83) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12182431 0.76 MAPK1 (0.65) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8347225 0.74 TOP2A (0.49) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9664290 0.72 MAPK1 (0.74) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22281653 0.71 MAPK1 (0.63) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8797441 0.71 MAPK1 (0.63) MAPK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20063185 0.71 PHGDH (0.64) LMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632026-B1 Alpha amino acid derivatives, a method for their preparation and pharmaceutical preparations containing them ADIR (FR) 1997-11-19 EP claimed
US-5585390-A ANTIINFLAMMATORY AGENTS; ANTILIPEMIC AGENTS ADIR ET COMPAGNIE (FR) 1996-12-17 US claimed
US-5585390-A ANTIINFLAMMATORY AGENTS; ANTILIPEMIC AGENTS ADIR ET COMPAGNIE (FR) 1996-12-17 US disclosed
US-5470864-A Glycine amide derivatives containing pyridine or pyridine-N-oxide, anticholesterol, antiinflammatory ADIR ET COMPAGNIE (FR) 1995-11-28 US disclosed