SCHEMBL29476751

SCHEMBL29476751

COC(=O)C1=Cc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.59
CA9 Q16790 10/20 0.59
TRPA1 O75762 6/20 0.49
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CA2 P00918 2/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL5600204 1.00 CA12 (0.59) CA12CA9TRPA1MAOAMAOB
SCHEMBL31090834 0.84 CA12 (0.50) CA12CA9TRPA1CA2ALOX15
SCHEMBL7911204 0.84 CA12 (0.50) CA12CA9TRPA1CA2ALOX15
SCHEMBL3567927 0.81 TSHR (0.49) CA12CA9MAOAMAOBCA2
SCHEMBL7378104 0.81 CA12 (0.48) CA12CA9TRPA1ALOX15
SCHEMBL28086772 0.81 MAOA (0.41) CA12CA9TRPA1MAOAMAOB
SCHEMBL5602110 0.81 TRPA1 (0.47) CA12CA9TRPA1MAOAMAOB
Hydrochloric Acid SCHEMBL3567925 0.80 TSHR (0.47) CA12CA9MAOAMAOBCA2
SCHEMBL11556904 0.79 MAOA (0.49) CA12CA9TRPA1MAOAMAOB
SCHEMBL5601304 0.79 ALDH1A1 (0.51) CA12CA9TRPA1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113607833-B Content analysis method of indoxacarb intermediate 山东京博农化科技股份有限公司 2023-10-31 CN claimed
CN-118556052-A Preparation method of indoxacarb and intermediate thereof 安道麦马克西姆有限公司 2024-08-27 CN disclosed
CN-113607833-B Content analysis method of indoxacarb intermediate 山东京博农化科技股份有限公司 2023-10-31 CN disclosed
CN-113607833-B Content analysis method of indoxacarb intermediate 山东京博农化科技股份有限公司 2023-10-31 CN disclosed
CN-114082446-A Chiral zirconium catalyst for preparing chiral alpha-hydroxy-beta-keto ester compound and preparation method thereof 南开沧州渤海新区绿色化工研究有限公司 2022-02-25 CN disclosed