Methyl Benzoate

Methyl Benzoate

SCHEMBL19206944

COC(=O)c1ccccc1.Cc1cc(C)cc(C)c1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.79
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 6/20 0.56
MAPT P10636 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
SLC6A3 Q01959 1/20 0.53
CNR2 P34972 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.53
PTPN1 P18031 1/20 0.53
HPGD P15428 1/20 0.53
AGTR1 P30556 1/20 0.53
F2 P00734 1/20 0.52
LMNA P02545 1/20 0.52
CA1 P00915 2/20 0.52

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 3,5-Dimethylbenzoate SCHEMBL9579696 0.96 TSHR (0.73) TSHRTDP1RAB9AMAPTL3MBTL1
Methyl Benzoate SCHEMBL19206967 0.92 TSHR (0.73) TSHRTDP1RAB9AMAPTL3MBTL1
Methyl Benzoate SCHEMBL19206945 0.89 TSHR (0.83) TSHRTDP1RAB9AMAPTL3MBTL1
Methyl Benzoate SCHEMBL16041278 0.89 TSHR (0.83) TSHRTDP1RAB9AMAPTL3MBTL1
Methyl Benzoate SCHEMBL28945661 0.89 TSHR (1.00) TSHRTDP1RAB9AMAPTL3MBTL1
Methyl Benzoate SCHEMBL7200 0.89 TSHR (1.00) TSHRTDP1RAB9AMAPTL3MBTL1
Methyl Benzoate SCHEMBL28537345 0.89 TSHR (1.00) TSHRTDP1RAB9AMAPTL3MBTL1
Methyl Benzoate SCHEMBL1332323 0.89 TSHR (1.00) TSHRTDP1RAB9AMAPTL3MBTL1
Methyl Benzoate SCHEMBL29039896 0.89 TSHR (1.00) TSHRTDP1RAB9AMAPTL3MBTL1
Methyl Benzoate SCHEMBL1867855 0.89 TSHR (1.00) TSHRTDP1RAB9AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3496174-B1 INK COMPOSITION AND PHOTOELECTRIC CONVERSION ELEMENT PRODUCED USING SAME SUMITOMO CHEMICAL CO (JP) 2024-06-12 EP disclosed
CN-117425655-A Nitrogen-containing heterocyclic compound for organic electroluminescent device 默克专利有限公司 2024-01-19 CN disclosed
CN-116508417-A Compounds useful for structuring functional layers of organic electroluminescent devices 默克专利有限公司 2023-07-28 CN disclosed
CN-107109090-B Ink composition and photoelectric conversion element produced using same 住友化学株式会社 2021-10-08 CN disclosed
EP-3496174-A1 INK COMPOSITION AND PHOTOELECTRIC CONVERSION ELEMENT PRODUCED USING SAME Sumitomo Chemical Company, Ltd. (JP) 2019-06-12 EP disclosed
EP-3219765-B1 INK COMPOSITION AND PHOTOELECTRIC CONVERSION ELEMENT PRODUCED USING SAME SUMITOMO CHEMICAL CO (JP) 2019-01-30 EP disclosed
EP-3219765-A1 INK COMPOSITION AND PHOTOELECTRIC CONVERSION ELEMENT PRODUCED USING SAME Sumitomo Chemical Company, Ltd. (JP) 2017-09-20 EP disclosed
US-20170237012-A1 INK COMPOSITION AND PHOTOELECTRIC CONVERSION DEVICE PRODUCED USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-17 US disclosed