Benzoic Acid 1-Methylethyl Ester

Benzoic Acid 1-Methylethyl Ester

SCHEMBL28073753

CC(C)OC(=O)c1ccccc1.NC(N)=O

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.70
CD274 Q9NZQ7 1/20 0.70
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
HTT P42858 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 2/20 0.65
ALDH1A1 P00352 2/20 0.65
CA12 O43570 4/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA7 P43166 4/20 0.60
CA9 Q16790 4/20 0.60
CA14 Q9ULX7 4/20 0.60
MAPT P10636 3/20 0.57
TSHR P16473 4/20 0.57
TP53 P04637 1/20 0.57
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
MEN1 O00255 1/20 0.51

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
Benzoic Acid 1-Methylethyl Ester SCHEMBL27592410 0.94 PDCD1 (0.78) PDCD1CD274NPC1RAB9AHTT
Benzoic Acid 1-Methylethyl Ester SCHEMBL96918 0.94 PDCD1 (0.78) PDCD1CD274NPC1RAB9AHTT
Benzoic Acid 1-Methylethyl Ester SCHEMBL29019189 0.92 PDCD1 (0.75) PDCD1CD274NPC1RAB9AHTT
Benzoic Acid 1-Methylethyl Ester SCHEMBL9343935 0.92 PDCD1 (0.75) PDCD1CD274NPC1RAB9AHTT
Benzoic Acid 1-Methylethyl Ester SCHEMBL28432759 0.92 PDCD1 (0.75) PDCD1CD274NPC1RAB9AHTT
Benzoic Acid 1-Methylethyl Ester SCHEMBL31017505 0.92 PDCD1 (0.75) PDCD1CD274NPC1RAB9AHTT
Benzoic Acid 1-Methylethyl Ester SCHEMBL8381956 0.92 PDCD1 (0.75) PDCD1CD274NPC1RAB9AHTT
Benzoic Acid 1-Methylethyl Ester SCHEMBL29187646 0.88 PDCD1 (0.70) PDCD1CD274NPC1RAB9AHTT
Benzoic Acid 1-Methylethyl Ester SCHEMBL27379332 0.88 PDCD1 (0.70) PDCD1CD274NPC1RAB9AHTT
Benzoic Acid 1-Methylethyl Ester SCHEMBL30886664 0.88 NPC1 (0.60) PDCD1CD274NPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103958059-B Hydrosilylation reaction catalysts and curable compositions and methods of making and using the same 道康宁公司 2017-04-26 CN disclosed
CN-103842368-B Iridium containing hydrosilylation catalysts and compositions containing the catalysts 道康宁公司 2017-02-22 CN disclosed
CN-103814040-B Nickel-containing hydrosilylation catalysts and compositions containing the same 道康宁公司 2016-08-31 CN disclosed
CN-103781823-B Containing titanium complex and condensation catalyst, prepare the method for this catalyst and comprise the compositions of this catalyst 道康宁公司 2016-08-17 CN disclosed