SCHEMBL829418

SCHEMBL829418

CC1(C)OCc2cc(C(=O)CBr)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.40
GNB1 P62873 1/20 0.40
GSK3B P49841 9/20 0.40
PTPN1 P18031 5/20 0.39
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXRA P19793 1/20 0.36
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 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
SCHEMBL30563103 1.00 GNG2 (0.40) GNG2GNB1GSK3BPTPN1ATM
SCHEMBL21886542 0.89 CTNNB1 (0.42) CTNNB1WNT3AHPGD
SCHEMBL14357334 0.87 ATM (0.50) ATMMEN1KMT2ARXRACTNNB1
SCHEMBL27636279 0.86 ATM (0.36) ATMMEN1KMT2ARXRACTNNB1
SCHEMBL960318 0.84 MAPT (0.46) KMT2ARXRAHPGDALDH1A1MAPT
SCHEMBL14898029 0.82 RXRA (0.50) MEN1KMT2ARXRAALDH1A1MAPT
SCHEMBL925100 0.82 KMT2A (0.36) ATMMEN1KMT2ARXRACTNNB1
SCHEMBL27617374 0.81 KMT2A (0.38) MEN1KMT2ARXRAHPGDALDH1A1
SCHEMBL14898177 0.80 CA12 (0.45) ATMMEN1KMT2AHPGDALDH1A1
SCHEMBL13510942 0.80 RXRA (0.32) ATMMEN1KMT2ARXRACTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114409552-B Levorotatory sand hydrochloride preparation method of butylamine alcohol 广州博济生物医药科技园有限公司 2024-11-05 CN claimed
CN-114736186-B Method for synthesizing Violet Luo Zhongjian body from tert-butyl carbamate 安徽德信佳生物医药有限公司 2023-08-08 CN claimed
CN-114736186-A Method for synthesizing vilanterol intermediate from tert-butyl carbamate 安徽德信佳生物医药有限公司 2022-07-12 CN claimed
EP-3201171-B1 METHOD OF PREPARING INTERMEDIATE OF SALMETEROL AMPHASTAR NANJING PHARMACEUTICALS INC (CN) 2020-04-15 EP claimed
WO-2017001907-A1 BIOCATALYTIC PROCESSES FOR THE PREPARATION OF VILANTEROL TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-01-05 WO claimed
CN-114409552-B Levorotatory sand hydrochloride preparation method of butylamine alcohol 广州博济生物医药科技园有限公司 2024-11-05 CN disclosed
CN-114736186-B Method for synthesizing Violet Luo Zhongjian body from tert-butyl carbamate 安徽德信佳生物医药有限公司 2023-08-08 CN disclosed
CN-114736186-B Method for synthesizing Violet Luo Zhongjian body from tert-butyl carbamate 安徽德信佳生物医药有限公司 2023-08-08 CN disclosed
WO-2023097696-A1 METHOD FOR SYNTHESIZING (1R)-1-(2,2-DIMETHYL-4H-1,3-BENZODIOXIN-6-YL)-2-NITROETHANOL 广东莱佛士制药技术有限公司 2023-06-08 WO disclosed
WO-2023097678-A1 METHOD FOR SYNTHESIZING (R)-5-(2,2-DIMETHYL-4H-BENZO[D][1,3]DIOXIN-6-YL)OXAZOLIDIN-2-ONE 广东莱佛士制药技术有限公司 2023-06-08 WO disclosed
CN-114736186-A Method for synthesizing vilanterol intermediate from tert-butyl carbamate 安徽德信佳生物医药有限公司 2022-07-12 CN disclosed
CN-114736186-A Method for synthesizing vilanterol intermediate from tert-butyl carbamate 安徽德信佳生物医药有限公司 2022-07-12 CN disclosed
EP-0894787-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXYLATE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1999-02-03 EP disclosed
EP-0882704-A1 3,4-DISUBSTITUTED PHENYLETHANOLAMINOTETRALINCARBOXAMIDE DERIVATIVES KISSEI PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP disclosed
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 US disclosed
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed