SCHEMBL454620

SCHEMBL454620

CC(C)(C)C1(CCc2ccc(Cl)cc2)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HMOX1 P09601 2/20 0.37
AOC3 Q16853 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MAOB P27338 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL9801451 0.86 TAAR1 (0.34) TAAR1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL10644320 0.84 CHRM2 (0.36) TAAR1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL10422228 0.84 SLC6A2 (0.35) TAAR1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL30595204 0.83 TAAR1 (0.39) TAAR1AOC3MAOBKCNH2
SCHEMBL1283910 0.78 IDO1 (0.40) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL11639984 0.77 TAAR1 (0.42) TAAR1HMOX1AOC3CHRM2CHRM1
SCHEMBL28133360 0.73 KCNH2 (0.42) TAAR1HMOX1KDM4EALDH1A1POLB
SCHEMBL9801376 0.72 KCNH2 (0.44) TAAR1KDM4EALDH1A1POLBGAA
SCHEMBL9783484 0.71 MAPT (0.39) MAOBKCNH2
SCHEMBL9874745 0.71 SLC6A4 (0.46) TAAR1SLC6A2HTR2ASLC6A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119708491-A Polydisulfide polymer material containing hydroxy ester group and preparation method thereof 衢州化工新材料创新研究院 2025-03-28 CN claimed
CN-118812449-A Preparation process of high-purity tebuconazole 江苏剑牌农化科技有限公司 2024-10-22 CN claimed
CN-118440029-A Preparation method of tebuconazole epoxy compound and oil-water separation device 内蒙古犇星化学有限公司 2024-08-06 CN claimed
CN-110563660-B Method for reducing 1,3,4 triazole substituent in 1,2,4-triazole alkylation reaction process 江苏七洲绿色化工股份有限公司 2022-11-11 CN claimed
CN-110317621-B Method for controllably promoting medium and low temperature asphalt stabilization through multi-bond cooperation 中国科学院山西煤炭化学研究所 2021-05-25 CN claimed
CN-111253328-A Preparation method of tebuconazole 江苏七洲绿色化工股份有限公司 2020-06-09 CN claimed
CN-109336849-A A kind of preparation method of 2- [2- (4- chlorphenyl) ethyl] -2- (1,1- dimethyl ethyl) ethylene oxide 江苏七洲绿色化工股份有限公司 2019-02-15 CN claimed
US-4988829-A Process for the preparation of 2-(4-chlorophenylethyl)-2-tert.-butyl-oxirane BAYER AKTIENGESSELLSCHAFT (DE) 1991-01-29 US claimed
EP-0143379-B1 METHOD FOR THE PREPARATION OF BETA-HYDROXY-ETHYL-(1,2,4-TRIAZOLE) DERIVATIVES BAYER AG (DE) 1988-03-30 EP claimed
US-4626594-A Process for the preparation of beta-hydroxyethyl-(1,2,4-triazole) derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-12-02 US claimed
EP-0143379-A1 Method for the preparation of beta-hydroxy-ethyl-(1,2,4-triazole) derivatives BAYER AG (DE) 1985-06-05 EP claimed
CN-119708491-A Polydisulfide polymer material containing hydroxy ester group and preparation method thereof 衢州化工新材料创新研究院 2025-03-28 CN disclosed
CN-116891444-B Preparation method of tebuconazole epoxy compound 成武县晨晖环保科技有限公司 2025-03-21 CN disclosed
CN-119080705-A General efficient synthesis method of triazole compound 盐城辉煌化工有限公司 2024-12-06 CN disclosed
CN-118812449-A Preparation process of high-purity tebuconazole 江苏剑牌农化科技有限公司 2024-10-22 CN disclosed
US-4452625-A 1,2,4-TETRAZOLE COMPOUND WITH A CYCLOPROPANE CARBOXY COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1984-06-05 US disclosed
EP-0043419-B1 ANTIMYCOTIC COMPOSITION BAYER AG (DE) 1984-03-14 EP disclosed
EP-0057357-A2 Plant growth stunting agent BAYER AG (DE) 1982-08-11 EP disclosed
EP-0043419-A1 Antimycotic composition BAYER AG (DE) 1982-01-13 EP disclosed
EP-0040345-A1 1-Hydroxyethyl-azole derivatives, process for their preparation and their use in the regulation of plant growth and as fungicides BAYER AG (DE) 1981-11-25 EP disclosed