Methyl Benzoate

Methyl Benzoate

SCHEMBL9685679

COC(=O)c1ccccc1.Oc1ccc(O)cc1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.83
CA1 P00915 4/20 0.79
CA2 P00918 4/20 0.79
CA12 O43570 2/20 0.79
CA7 P43166 2/20 0.79
CA9 Q16790 2/20 0.79
CA14 Q9ULX7 2/20 0.79
RAB9A P51151 4/20 0.58
MAPT P10636 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
LMNA P02545 4/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 1/20 0.58
CES2 O00748 1/20 0.56
SLC6A3 Q01959 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54

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
Methylparaben SCHEMBL28757100 0.94 CA1 (0.83) TSHRCA1CA2CA12CA7
Methylparaben SCHEMBL9480744 0.92 CA1 (0.74) TSHRCA1CA2CA12CA7
Methyl Benzoate SCHEMBL28393301 0.92 CA1 (0.74) TSHRCA1CA2CA12CA7
Methylparaben SCHEMBL8030878 0.92 CA1 (0.74) TSHRCA1CA2CA12CA7
Phenol SCHEMBL8167350 0.91 CA1 (0.79) TSHRCA1CA2CA12CA7
Methyl Benzoate SCHEMBL28537345 0.91 TSHR (1.00) TSHRCA1CA2CA12CA7
Methyl Benzoate SCHEMBL1867855 0.91 TSHR (1.00) TSHRCA1CA2CA12CA7
Methyl Benzoate SCHEMBL1332323 0.91 TSHR (1.00) TSHRCA1CA2CA12CA7
Methyl Benzoate SCHEMBL29105567 0.91 TSHR (1.00) TSHRCA1CA2CA12CA7
Methyl Benzoate SCHEMBL7200 0.91 TSHR (1.00) TSHRCA1CA2CA12CA7

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-0494481-A1 Coating composition of acrylic polymers containing reactive groups and an epoxy organosilane E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-15 EP disclosed
US-5064719-A Exterior finishes for automobiles, trucks E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-12 US disclosed