SCHEMBL4680387

SCHEMBL4680387

CC(C)(C)COC(=O)N[C@](C)(C(=O)OC(C)(C)C)c1ccc(O)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
FYN P06241 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
GRK5 P34947 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAPK8 P45983 1/20 0.41
CDK8 P49336 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PRKX P51817 1/20 0.41
JAK3 P52333 1/20 0.41
LIMK1 P53667 1/20 0.41
BTK Q06187 1/20 0.41
TYRO3 Q06418 1/20 0.41
MAPK14 Q16539 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
CAMK1D Q8IU85 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL27623125 1.00 CHEK1 (0.41) CHEK1FYNPDGFRBPIM1FGFR1
SCHEMBL4845273 0.87 FYN (0.47) CHEK1FYNPDGFRBPIM1FGFR1
SCHEMBL4845283 0.87 FYN (0.47) CHEK1FYNPDGFRBPIM1FGFR1
SCHEMBL14181799 0.70 ITGB3 (0.43) ALDH1A1GAAGFERITGA4ITGB7
SCHEMBL8326273 0.68 ITGB3 (0.41) ALDH1A1GAAGFERITGA4ITGB7
SCHEMBL7233451 0.65 PTPRB (0.45) ALDH1A1MAPTPKMRECQL
SCHEMBL23033538 0.65 CA12 (0.48) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL14907948 0.64 GAA (0.52) ALDH1A1GAAGFERHDAC1
SCHEMBL28322179 0.64 CYP1A2 (0.44) KMT2AMEN1AAK1CFTR
SCHEMBL13099832 0.64 KCNN4 (0.44) GAAKMT2AMEN1MAPTHDAC1

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-1594853-B1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
EP-1594853-A1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GmbH (DE) 2005-11-16 EP disclosed
WO-2004072054-A1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GMBH (DE) 2004-08-26 WO disclosed