SCHEMBL7878657

SCHEMBL7878657

CCOC(=O)c1[nH]c(COC(C)=O)nc1C(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.35
XBP1 P17861 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7883597 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL4363347 0.86 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL9566732 0.85 ALDH1A1 (0.36) ALDH1A1
SCHEMBL987234 0.83 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHTTRECQL
Water SCHEMBL21776630 0.82 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL7298547 0.81 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL7883522 0.80 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL7883248 0.80 GRM1 (0.37) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL8861128 0.80 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EHTTRECQL
SCHEMBL8244423 0.77 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EHTTRECQL

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