Ethyl Benzoate

Ethyl Benzoate

SCHEMBL27265201

CCOC(=O)c1ccccc1.S

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 4/20 0.67
RAB9A P51151 3/20 0.67
NPC1 O15118 2/20 0.67
GAA P10253 2/20 0.67
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
ESR1 P03372 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
ESR2 Q92731 1/20 0.64
CA14 Q9ULX7 1/20 0.64
TSHR P16473 3/20 0.63
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAOA P21397 1/20 0.62
TDP1 Q9NUW8 2/20 0.61

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
Ethyl Benzoate SCHEMBL25388294 0.98 LMNA (0.70) LMNASMN1; SMN2RAB9ANPC1GAA
Ethyl Benzoate SCHEMBL55674 0.98 LMNA (0.70) LMNASMN1; SMN2RAB9ANPC1GAA
Ethyl Benzoate SCHEMBL2762273 0.98 LMNA (0.70) LMNASMN1; SMN2RAB9ANPC1GAA
Ethyl Benzoate SCHEMBL30886688 0.96 LMNA (0.68) LMNASMN1; SMN2RAB9ANPC1GAA
Ethyl Benzoate SCHEMBL595705 0.96 LMNA (0.68) LMNASMN1; SMN2RAB9ANPC1GAA
Ethyl Benzoate SCHEMBL28365249 0.96 LMNA (0.68) LMNASMN1; SMN2RAB9ANPC1GAA
Ethyl Benzoate SCHEMBL28871046 0.96 LMNA (0.68) LMNASMN1; SMN2RAB9ANPC1GAA
Ethyl Benzoate SCHEMBL1404143 0.96 LMNA (0.68) LMNASMN1; SMN2RAB9ANPC1GAA
Ethyl Benzoate SCHEMBL9345283 0.96 LMNA (0.68) LMNASMN1; SMN2RAB9ANPC1GAA
Ethyl Benzoate SCHEMBL10340677 0.96 LMNA (0.68) LMNASMN1; SMN2RAB9ANPC1GAA

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
CN-1021328-C PROCESS FOR PREPARING PYRIDAZINAMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1993-06-23 CN disclosed
CN-1033274-A The preparation method of new Pyridazinyl amine derivative JANSSEN PHARMACEUTICA NV (BE) 1989-06-07 CN disclosed