SCHEMBL8664938

SCHEMBL8664938

CCCc1nc(C(=O)O)c(C(=O)OCC)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL1275935 0.91 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHTTRECQL
Hydrochloric Acid SCHEMBL1417761 0.89 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL7306927 0.88 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL8431293 0.88 KDM4E (0.43) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL2626703 0.85 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL651 0.84 PIN1 (0.42) CYP1A2CYP2C19POLBMAPK1
SCHEMBL5809049 0.83 ALDH1A1 (0.47) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL7309807 0.82 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL9137641 0.80 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHTTRECQL
SCHEMBL4356883 0.80 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813552-A Recovery and purification process of olmesartan intermediate impurities 江苏阿尔法药业股份有限公司 2023-09-29 CN disclosed
CN-109081812-B 4- (1-hydroxy-1-methylethyl) -2-propylimidazole-5-carboxylic acid ethyl ester monohydrate 黄冈鲁班药业股份有限公司 2022-08-16 CN disclosed
CN-112337419-B Preparation method of 4- (1-hydroxy-1-methylethyl) -2-propylimidazole-5-carboxylic acid ethyl ester 浙江花蝶染料化工有限公司 2022-05-13 CN disclosed
CN-113336706-B Synthetic method for preparing olmesartan medoxomil intermediate by continuous flow 拓信达(启东)医药生物科技有限公司 2022-04-22 CN disclosed
CN-113336706-A Synthetic method for preparing olmesartan medoxomil intermediate by continuous flow 拓信达(启东)医药生物科技有限公司 2021-09-03 CN disclosed
CN-112337419-A Preparation method of 4- (1-hydroxy-1-methylethyl) -2-propylimidazole-5-carboxylic acid ethyl ester 浙江花蝶染料化工有限公司 2021-02-09 CN disclosed
WO-2020043025-A1 HYDRATE OF 4-(1-HYDROXY-1-METHYLETHYL)-2-PROPYLIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER 黄冈鲁班药业股份有限公司 2020-03-05 WO disclosed
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed