SCHEMBL8769303

SCHEMBL8769303

C=C(C(=O)O)N(C(C)=O)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3686946 0.81
SCHEMBL982870 0.74 TSHR (0.32) TSHRTHPOFFAR3LCKFYN
SCHEMBL3740401 0.71 TDP1 (0.37) TSHRTHPOFFAR3LCKFYN
Ethylene SCHEMBL8444341 0.70 LMNA (0.39) TSHRTHPOFFAR3LCKFYN
SCHEMBL867771 0.69 LMNA (0.46) TSHRTHPOFFAR3LCKFYN
SCHEMBL1015918 0.69
Methacrylic Acid SCHEMBL29084276 0.67 TSHR (0.54) TSHRTHPOFFAR3LCKFYN
Methacrylic Acid SCHEMBL28541478 0.67 TDP1 (0.47) TSHRTHPOFFAR3LCKFYN
SCHEMBL28431622 0.67 FFAR3 (0.43) TSHRTHPOFFAR3LCKFYN
SCHEMBL8426644 0.67 FFAR3 (0.43) TSHRTHPOFFAR3LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792258-A1 PROCESS FOR THE EFFICIENT PREPARATION OF N-SUBSTITUTED DEHYDROAMINO ACID ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-03 EP disclosed
WO-1996016021-A1 PROCESS FOR THE EFFICIENT PREPARATION OF N-SUBSTITUTED DEHYDROAMINO ACID ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-05-30 WO disclosed