SCHEMBL5263393

SCHEMBL5263393

COc1cccc(C(Cl)Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
ACHE P22303 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
CASR P41180 3/20 0.47
TAAR1 Q96RJ0 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44

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
SCHEMBL1588867 0.85 CASR (0.50) AOC3ACHEL3MBTL1CA1CA2
SCHEMBL30722441 0.85 CASR (0.50) AOC3ACHEL3MBTL1CA1CA2
SCHEMBL28759072 0.83 ACHE (0.52) AOC3ACHEL3MBTL1CA1CA2
SCHEMBL28031817 0.83 AOC3 (0.56) AOC3ACHEL3MBTL1CA1CA2
SCHEMBL11021614 0.83 AOC3 (0.50) AOC3ACHEL3MBTL1CA1CA2
SCHEMBL11186902 0.82 PTGS1 (0.47) ALDH1A1
SCHEMBL3621393 0.82 AOC3 (0.46) AOC3ACHEL3MBTL1CA1CA2
SCHEMBL952823 0.82 CASR (0.51) AOC3ACHEL3MBTL1CA1CA2
SCHEMBL11617502 0.82 AOC3 (0.49) AOC3ACHEL3MBTL1CA1CA2
SCHEMBL2319374 0.80 AOC3 (0.49) AOC3ACHEL3MBTL1CA1CA2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751115-A Preparation method of m-methoxychlorobenzyl chloride 苏州诚和医药化学有限公司 2023-09-15 CN claimed
CN-112473396-B Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof 西安建筑科技大学 2022-06-24 CN claimed
CN-116375643-B Deaconitine derivative and preparation method and application thereof 中国人民解放军海军军医大学 2025-04-01 CN disclosed
CN-116751115-A Preparation method of m-methoxychlorobenzyl chloride 苏州诚和医药化学有限公司 2023-09-15 CN disclosed
CN-116751115-A Preparation method of m-methoxychlorobenzyl chloride 苏州诚和医药化学有限公司 2023-09-15 CN disclosed
CN-116375643-A Deaconitine derivative and preparation method and application thereof 中国人民解放军海军军医大学 2023-07-04 CN disclosed
CN-112473396-B Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof 西安建筑科技大学 2022-06-24 CN disclosed
CN-108440500-B Quinazoline HIV-1 inhibitor and preparation method and application thereof 山东大学 2021-03-16 CN disclosed
CN-112473396-A Anion exchange membrane material for diffusion dialysis acid recovery and preparation method thereof 西安建筑科技大学 2021-03-12 CN disclosed
CN-108218890-B Five-membered non-aromatic ring pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof 山东大学 2020-03-27 CN disclosed
CN-108218896-B Thiazolopyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof 山东大学 2020-03-27 CN disclosed
EP-1831194-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006068594-A1 HETEROCYCLIC MCHr1 ANTAGONISTS AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
EP-0238753-B1 N-SUBSTITUTED CONDENSED POLYMETHYLENE IMINE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-01-15 EP disclosed
US-4959374-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, GLAUCOMA, HYPERGLYCEMIC AGENTS, ANTIDEPRESSANTS BEECHAM GROUP P.L.C. (GB) 1990-09-25 US disclosed
US-4863946-A HYPOGLYCEMIC AND HYPOTENSIVE AGENTS BEECHAM GROUP PLC (GB) 1989-09-05 US disclosed
EP-0199701-B1 A PROCESS FOR PREPARING SUBSTITUTED BENZOTRICHLORIDES Monsanto Company (US) 1988-07-13 EP disclosed
EP-0238753-A1 N-substituted condensed polymethylene imine derivatives BEECHAM GROUP PLC (GB) 1987-09-30 EP disclosed
EP-0199701-A1 A process for preparing substituted benzotrichlorides Monsanto Company (US) 1986-10-29 EP disclosed
US-4575565-A FROM ALDEHYDE THROUGH CYCLODITHIO--ACETAL MONSANTO COMPANY (US) 1986-03-11 US disclosed