SCHEMBL29809288

SCHEMBL29809288

O[C@H]1CCOc2cc(F)cc(F)c21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.42
ADRA2A P08913 1/20 0.33
OPRL1 P41146 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL23832310 1.00 MAP3K14 (0.42) MAP3K14ADRA2AOPRL1NPC1RAB9A
SCHEMBL3269304 1.00 MAP3K14 (0.42) MAP3K14ADRA2AOPRL1NPC1RAB9A
SCHEMBL29846494 1.00 MAP3K14 (0.42) MAP3K14ADRA2AOPRL1NPC1RAB9A
SCHEMBL28575567 1.00 MAP3K14 (0.42) MAP3K14ADRA2AOPRL1NPC1RAB9A
SCHEMBL29848515 1.00 MAP3K14 (0.42) MAP3K14ADRA2AOPRL1NPC1RAB9A
Acetic Acid SCHEMBL28839973 0.91 MAP3K14 (0.40) MAP3K14OPRL1NPC1RAB9A
Acetic Acid SCHEMBL28839975 0.91 MAP3K14 (0.40) MAP3K14OPRL1NPC1RAB9A
SCHEMBL4732629 0.80 ADRA2A (0.32) ADRA2AOPRL1
SCHEMBL3562075 0.80 ADRA2A (0.32) MAP3K14ADRA2A
SCHEMBL28418993 0.80 ADRA2A (0.32) MAP3K14ADRA2AOPRL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527272-B Synthetic method of tergolian prazan 西安淳甄新材料有限公司 2023-07-21 CN claimed
CN-114907303-A Preparation method of chiral chromanol of tegorazalol intermediate 常州工程职业技术学院 2022-08-16 CN claimed
CN-114805317-A Preparation method of Tegolrazan 江苏威奇达药业有限公司 2022-07-29 CN claimed
CN-118599794-A Carbonyl reductase mutant and application thereof in synthesis of agoraphobia intermediate 杭州文德阶生物科技有限公司 2024-09-06 CN disclosed
CN-115108994-B Tergolian intermediate and preparation method and application thereof 江苏威奇达药业有限公司 2024-05-31 CN disclosed
CN-117024417-A Preparation method of terglazan 上海柏狮生物科技有限公司 2023-11-10 CN disclosed
CN-113527272-B Synthetic method of tergolian prazan 西安淳甄新材料有限公司 2023-07-21 CN disclosed
CN-116375650-A Preparation method of agoraphobia intermediate 浙江美诺华药物化学有限公司 2023-07-04 CN disclosed
CN-112851646-B Preparation method of tergolian prazan 中国医学科学院药物研究所 2023-06-13 CN disclosed
CN-115108994-A Tegolrazan intermediate and preparation method and application thereof 江苏威奇达药业有限公司 2022-09-27 CN disclosed
CN-114907303-A Preparation method of chiral chromanol of tegorazalol intermediate 常州工程职业技术学院 2022-08-16 CN disclosed
CN-114874187-A Preparation method of vitacoxib 江苏慧聚药业股份有限公司 2022-08-09 CN disclosed
CN-114805317-A Preparation method of Tegolrazan 江苏威奇达药业有限公司 2022-07-29 CN disclosed
CN-114805317-A Preparation method of Tegolrazan 江苏威奇达药业有限公司 2022-07-29 CN disclosed