SCHEMBL7878631

SCHEMBL7878631

CCOCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.49
AGTR2 P50052 3/20 0.49
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
CYP3A4 P08684 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
SLCO1B3 Q9NPD5 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
ACHE P22303 1/20 0.43

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
SCHEMBL7301911 0.93 AGTR1 (0.48) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7885542 0.92 AGTR1 (0.44) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7309505 0.91 AGTR1 (0.57) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7878389 0.91 AGTR1 (0.52) AGTR1AGTR2
Hydrochloric Acid SCHEMBL7887929 0.90 AGTR1 (0.51) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7308001 0.90 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL7889808 0.90 AGTR1 (0.48) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL8561079 0.90 AGTR1 (0.49) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL8561080 0.88 AGTR1 (0.48) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7886496 0.86 AGTR1 (0.44) AGTR1AGTR2ABCC3ABCC4ABCB11

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 4 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
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
EP-0573218-A2 4-Carboxyimidazoles as angiotensin II antagonists and their thrapeutic use SANKYO COMPANY LIMITED (JP) 1993-12-08 EP disclosed