SCHEMBL28055725

SCHEMBL28055725

CC(C)[CH]CCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ AOC3 Q16853 1/20 0.42
▸ KCNH2 Q12809 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2693873 0.86 TAAR1 (0.44) TAAR1SLC6A2SLC6A3AOC3KCNH2
SCHEMBL29113352 0.79 TAAR1 (0.45) TAAR1AOC3KCNH2MAOBIDO1
SCHEMBL2292003 0.78 SIGMAR1 (0.42) TAAR1SLC6A2SLC6A3AOC3SLC6A4
SCHEMBL432651 0.76 TAAR1 (0.50) TAAR1SLC6A2SLC6A3AOC3KCNH2
SCHEMBL8471773 0.73 TAAR1 (0.52) TAAR1AOC3KCNH2MAOBSLC6A4
SCHEMBL9112609 0.72 KCNH2 (0.49) TAAR1SLC6A2SLC6A3AOC3KCNH2
SCHEMBL9150371 0.72 TAAR1 (0.47) TAAR1SLC6A2SLC6A3AOC3KCNH2
SCHEMBL4902643 0.71 TAAR1 (0.50) TAAR1AOC3KCNH2MAOBSLC6A4
SCHEMBL896217 0.71 TAAR1 (0.50) TAAR1AOC3KCNH2MAOBIDO1
SCHEMBL436099 0.71 AOC3 (0.52) TAAR1SLC6A2SLC6A3AOC3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-110713472-A Synthetic method of 2- [2- (4-chlorphenyl) ethyl ] -2- (1, 1-dimethylethyl) oxirane 江苏七洲绿色化工股份有限公司 2020-01-21 — — CN claimed
CN-105419499-A Durable building paint and preparation method therefor XIN FANFAN 2016-03-23 — — CN claimed
CN-116891444-A Preparation method of tebuconazole epoxy compound 成武县晨晖环保科技有限公司 2023-10-17 — — CN disclosed
CN-218834473-U Synthesis system of tebuconazole competitive product 成武县晨晖环保科技有限公司 2023-04-11 — — CN disclosed
CN-218741906-U Production device for synthesizing tebuconazole intermediate 成武县晨晖环保科技有限公司 2023-03-28 — — CN disclosed
CN-109336848-B Tebuconazole intermediate and preparation method of tebuconazole 江苏七洲绿色化工股份有限公司 2021-04-06 — — CN disclosed
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 disclosed
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 disclosed
CN-110713472-A Synthetic method of 2- [2- (4-chlorphenyl) ethyl ] -2- (1, 1-dimethylethyl) oxirane 江苏七洲绿色化工股份有限公司 2020-01-21 — — CN disclosed
CN-110713472-A Synthetic method of 2- [2- (4-chlorphenyl) ethyl ] -2- (1, 1-dimethylethyl) oxirane 江苏七洲绿色化工股份有限公司 2020-01-21 — — CN disclosed
CN-105419499-A Durable building paint and preparation method therefor XIN FANFAN 2016-03-23 — — CN disclosed
CN-105419499-A Durable building paint and preparation method therefor XIN FANFAN 2016-03-23 — — CN disclosed
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