SCHEMBL7883248

SCHEMBL7883248

CCCOCc1nc(C(C)(C)O)c(C(=O)OCCC)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.37
ALDH1A1 P00352 3/20 0.34
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.32

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
SCHEMBL7883597 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL7885549 0.81 LMNA (0.40) GRM1ALDH1A1ESR1CHRM1TSHR
SCHEMBL7878657 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL987234 0.80 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EHPGDHTT
Hydrochloric Acid SCHEMBL7889797 0.80 LMNA (0.40) GRM1ALDH1A1ESR1CHRM1TSHR
SCHEMBL4363347 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL8861128 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHTTRECQL
Water SCHEMBL21776630 0.78 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EHPGDHTT
SCHEMBL7298547 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL7883601 0.73 PDE2A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573218-B1 4-Carboxyimidazoles as angiotensin II antagonists and their thrapeutic use SANKYO CO (JP) 2001-03-07 EP disclosed
CN-1051766-C Angiotensin II antagonist imidazole derivatives, their preparation and their theapeutic use SANKYO CO (JP) 2000-04-26 CN disclosed
US-5646171-A HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 1997-07-08 US disclosed
US-5616599-A HYPOTENSIVE AGENTS FOR CARDIOVASCULAR DISORDER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
CN-1085896-A The Angiotensin II antagonist imidazole derivatives, their preparation and therepic use thereof SANKYO CO (JP) 1994-04-27 CN disclosed
EP-0573218-A2 4-Carboxyimidazoles as angiotensin II antagonists and their thrapeutic use SANKYO COMPANY LIMITED (JP) 1993-12-08 EP disclosed