SCHEMBL1702760

SCHEMBL1702760

COC(=O)CC(=NO)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
AKT1 P31749 1/20 0.45
POLB P06746 1/20 0.43
ESRRB O95718 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CES1 P23141 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 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
SCHEMBL12225818 1.00 TSHR (0.48) TSHRAKT1POLBESRRBKDM4E
SCHEMBL1702759 1.00 TSHR (0.48) TSHRAKT1POLBESRRBKDM4E
SCHEMBL6157208 0.86 ALDH1A1 (0.51) TSHRAKT1POLBESRRBKDM4E
SCHEMBL6157212 0.86 ALDH1A1 (0.51) TSHRAKT1POLBESRRBKDM4E
SCHEMBL6157204 0.86 ALDH1A1 (0.51) TSHRAKT1POLBESRRBKDM4E
SCHEMBL1057122 0.78 ATM (0.52) KDM4EALDH1A1LMNAATMKMT2A
SCHEMBL275775 0.76 KMT2A (0.67) TSHRAKT1POLBKDM4EALDH1A1
SCHEMBL8072394 0.76 TSHR (0.56) TSHRAKT1POLBESRRBKDM4E
SCHEMBL1055554 0.75 SMN1; SMN2 (0.50) KDM4EALDH1A1ATMKMT2AMAPT
SCHEMBL29035576 0.75 KMT2A (0.64) TSHRAKT1POLBKDM4EALDH1A1

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-1806408-B1 Process for producing amino acid derivatives from hydroxyimino acids AJINOMOTO KK (JP) 2012-04-18 EP disclosed
US-8043836-B2 Contacting Citrobacter/Escherichia and/or enzyme with a hydroxyimino acid; for biosynthesis of tryptophan AJINOMOTO CO., INC. (JP) 2011-10-25 US disclosed
US-20080193984-A1 Process For Producing Amino Acid Derivative From Hydroxyimino Acid AJINOMOTO CO., INC. (JP) 2008-08-14 US disclosed
EP-1806408-A1 PROCESS FOR PRODUCING AMINO ACID DERIVATIVE FROM HYDROXYIMINO ACID Ajinomoto Co., Inc. (JP) 2007-07-11 EP disclosed