Methyl Benzoate

Methyl Benzoate

SCHEMBL28945661

COC(=O)c1ccccc1.c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 1.00
RAB9A P51151 6/20 0.67
MAPT P10636 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
F2 P00734 1/20 0.64
LMNA P02545 1/20 0.64
CA1 P00915 4/20 0.62
CA2 P00918 4/20 0.62
TDP1 Q9NUW8 1/20 0.62
CA12 O43570 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
SLC6A3 Q01959 1/20 0.62
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 3/20 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
Methyl Benzoate SCHEMBL28537345 1.00 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL29039896 1.00 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL29105567 1.00 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL29831725 1.00 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL1867855 1.00 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL1332323 1.00 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL7200 1.00 TSHR (1.00) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL6135472 0.97 TSHR (0.95) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL11118577 0.97 TSHR (0.95) TSHRRAB9AMAPTL3MBTL1CASP3
Methyl Benzoate SCHEMBL7005079 0.97 TSHR (0.95) TSHRRAB9AMAPTL3MBTL1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110099568-B Polymorphs of herbicidal sulfonamides FMC有限公司 2022-05-31 CN disclosed