SCHEMBL8504867

SCHEMBL8504867

CCOc1ccccc1-c1ccccc1-c1noc(=O)[nH]1.Cn1cnc2cccc(C(=O)O)c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.43
GUSB P08236 1/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
ALDH1A1 P00352 1/20 0.39
AGTR1 P30556 2/20 0.39
ABCB11 O95342 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRB3 P13945 1/20 0.37
ADRA2B P18089 1/20 0.37
SLC6A2 P23975 1/20 0.37
TBXAS1 P24557 1/20 0.37
HTR2C P28335 1/20 0.37
PPARG P37231 1/20 0.37
HTR2B P41595 1/20 0.37
PDE3A Q14432 1/20 0.37
PTGER1 P34995 1/20 0.37

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
SCHEMBL8505059 0.80 AGTR2 (0.45) AGTR2LTB4R2AGTR1ABCB11EGFR
SCHEMBL8711112 0.77 AGTR2 (0.44) AGTR2LTB4R2AGTR1
SCHEMBL21939312 0.75 ALDH1A1 (0.57) GUSBALDH1A1PPARG
Azilsartan SCHEMBL167538 0.74 AGTR2 (0.72) AGTR2LTB4R2AGTR1ABCB11EGFR
Azilsartan SCHEMBL29687472 0.74 AGTR2 (0.72) AGTR2LTB4R2AGTR1ABCB11EGFR
SCHEMBL15525727 0.74 AGTR2 (0.50) AGTR2LTB4R2AGTR1ABCB11EGFR
Azilsartan SCHEMBL969381 0.73 AGTR2 (0.71) AGTR2LTB4R2AGTR1ABCB11EGFR
Azilsartan SCHEMBL15552225 0.73 AGTR2 (0.71) AGTR2LTB4R2AGTR1ABCB11EGFR
SCHEMBL7425056 0.71 DHODH (0.49) ALDH1A1CYP3A4
SCHEMBL6111486 0.71 AGTR2 (0.63) AGTR2LTB4R2AGTR1ABCB11EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5889036-A ADMINISTERING 2-ETHOXY-1-((2'-(4,5-DIHYDRO-5-OXO-1,2,4-OXADIAZOL-3-YL)-BIPHE NYL)METHYL-1H-BENZIMIDAZOL-7-CARBOXYLIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-30 US claimed