SCHEMBL28677441

SCHEMBL28677441

CC(C)(C)OC(=O)NCCc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.51
IDO1 P14902 5/20 0.44
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
KCNA5 P22460 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
MAPT P10636 3/20 0.38
ALOX5 P09917 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL30290973 0.88 KCNA5 (0.47) NQO2IDO1HPGDPOLBKCNA5
SCHEMBL6094751 0.83 NQO2 (0.55) NQO2IDO1KCNA5TSHRLMNA
SCHEMBL6682212 0.81 NQO2 (0.53) NQO2IDO1POLBTSHRLMNA
SCHEMBL30408678 0.81 NQO2 (0.53) NQO2IDO1POLBTSHRLMNA
SCHEMBL6674376 0.80 NQO2 (0.52) NQO2IDO1HPGDPOLBTSHR
SCHEMBL24492288 0.79 NQO2 (0.51) NQO2IDO1POLBTSHRLMNA
SCHEMBL29649218 0.79 NQO2 (0.51) NQO2IDO1POLBTSHRLMNA
SCHEMBL26977894 0.77 NQO2 (0.52) NQO2IDO1HPGDPOLBKCNA5
SCHEMBL4521175 0.76 TSHR (0.50) NQO2TSHRLMNAMAPTNPC1
SCHEMBL375762 0.76 MEN1 (0.48) NQO2IDO1KCNA5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117723694-A Method for detecting C3 content of candesartan cilexetil intermediate in candesartan cilexetil 河南省药品医疗器械检验院(河南省疫苗批签中心) 2024-03-19 CN claimed
CN-117705981-A Method for rapidly determining impurity content of candesartan cilexetil tablet intermediate 河南省药品医疗器械检验院(河南省疫苗批签中心) 2024-03-15 CN claimed
CN-114163391-B Candesartan intermediate and preparation method of Candesartan 迪嘉药业集团股份有限公司 2024-02-02 CN claimed
CN-114163391-A Candesartan intermediate and preparation method of candesartan 迪嘉药业集团有限公司 2022-03-11 CN claimed
CN-117723694-A Method for detecting C3 content of candesartan cilexetil intermediate in candesartan cilexetil 河南省药品医疗器械检验院(河南省疫苗批签中心) 2024-03-19 CN disclosed
CN-117723694-A Method for detecting C3 content of candesartan cilexetil intermediate in candesartan cilexetil 河南省药品医疗器械检验院(河南省疫苗批签中心) 2024-03-19 CN disclosed
CN-114163391-B Candesartan intermediate and preparation method of Candesartan 迪嘉药业集团股份有限公司 2024-02-02 CN disclosed
CN-113544113-B Synthesis method of candesartan cilexetil intermediate 临海市华南化工有限公司 2023-12-26 CN disclosed
CN-113929597-A Method for synthesizing candesartan cilexetil intermediate 临海市华南化工有限公司 2022-01-14 CN disclosed
CN-111909136-A Preparation method of candesartan cilexetil 珠海润都制药股份有限公司 2020-11-10 CN disclosed
CN-101646659-A Preparation method of candesartan cilexetil and intermediate thereof SHANGHAI TOPHARMAN CO LTD 2010-02-10 CN disclosed