SCHEMBL8979830

SCHEMBL8979830

CCCCc1ncnc(OCc2ccccc2C(=O)OC)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.46
AGTR1 P30556 2/20 0.45
AGTR2 P50052 2/20 0.45
ACHE P22303 1/20 0.44
BDKRB1 P46663 2/20 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
SCHEMBL9195058 0.91 LTB4R2 (0.40) LTB4R2AGTR1AGTR2ACHE
SCHEMBL8979764 0.90 AGTR1 (0.45) LTB4R2AGTR1AGTR2ACHEBDKRB1
SCHEMBL9199769 0.80 CNR1 (0.39) AGTR1AGTR2
SCHEMBL8979802 0.79 ACHE (0.48) LTB4R2AGTR1AGTR2ACHE
SCHEMBL8979783 0.78 AGTR1 (0.48) LTB4R2AGTR1AGTR2ACHEBDKRB1
SCHEMBL8979825 0.78
SCHEMBL8979743 0.76 AGTR1 (0.52) LTB4R2AGTR1AGTR2ACHEBDKRB1
SCHEMBL8979805 0.76 AGTR1 (0.50) LTB4R2AGTR1AGTR2ACHEBDKRB1
SCHEMBL8979835 0.76 AGTR1 (0.43) LTB4R2AGTR1AGTR2ACHEBDKRB1
SCHEMBL8979741 0.76 AGTR1 (0.43) LTB4R2AGTR1AGTR2ACHEBDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565464-A Compounds having angiotensine II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-10-15 US disclosed
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed