SCHEMBL7766271

SCHEMBL7766271

CC(C)(C)OC(=O)Nc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
KCNMA1 Q12791 1/20 0.44
CDK2 P24941 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DDX3X O00571 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7760598 1.00 TSHR (0.51) TSHRKCNMA1CDK2TDP1L3MBTL1
SCHEMBL30063181 0.88 ATR (0.52) TSHRKCNMA1TDP1L3MBTL1MAPT
SCHEMBL1421011 0.88 ATR (0.52) TSHRKCNMA1TDP1L3MBTL1MAPT
SCHEMBL8651106 0.84 ATR (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3874517 0.84 ALDH1A1 (0.51) TSHRKCNMA1L3MBTL1MAPTMEN1
SCHEMBL28607387 0.84 KCNMA1 (0.55) TSHRKCNMA1TDP1L3MBTL1MAPT
SCHEMBL6929852 0.84 KCNMA1 (0.49) KCNMA1TDP1L3MBTL1MAPTMEN1
SCHEMBL4591743 0.83 MAPT (0.42) KCNMA1MAPTMEN1KMT2AALDH1A1
SCHEMBL27835430 0.83 MAPT (0.44) KCNMA1TDP1MAPTMEN1KMT2A
Benzoic Acid SCHEMBL8866912 0.83 ALDH1A1 (0.50) TSHRKCNMA1L3MBTL1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929597-B Synthesis method of candesartan cilexetil intermediate 临海市华南化工有限公司 2025-02-18 CN claimed
EP-0881212-B1 Production method of aminobenzene compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-10-31 EP claimed
CN-113929597-B Synthesis method of candesartan cilexetil intermediate 临海市华南化工有限公司 2025-02-18 CN disclosed
CN-113929597-B Synthesis method of candesartan cilexetil intermediate 临海市华南化工有限公司 2025-02-18 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-116730871-A Synthesis method of candesartan intermediate 湖北郡泰医药化工有限公司 2023-09-12 CN disclosed
CN-116410189-A Pyrimido pyridine compound and medicinal composition and application thereof 中国科学院上海药物研究所 2023-07-11 CN disclosed
EP-3083582-A1 A NEW PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL Farma GRS, d.o.o. (SI) 2016-10-26 EP disclosed
WO-2015090635-A1 A NEW PROCESS FOR THE PREPARATION OF CANDESARTAN CILEXETIL FARMA GRS, D.O.O. (SI) 2015-06-25 WO disclosed
EP-0591026-A1 Piperidine derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-04-06 EP disclosed