SCHEMBL8979749

SCHEMBL8979749

CCCC(=O)C(Cc1ccc(-c2ccccc2C(=O)OC)cc1)C(=O)COCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.48
BDKRB1 P46663 5/20 0.46
SLC6A3 Q01959 4/20 0.44
SLC6A4 P31645 3/20 0.44
BRS3 P32247 1/20 0.40
SLC6A2 P23975 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL8979799 0.94 LTB4R2 (0.53) LTB4R2BDKRB1SLC6A3SLC6A4BRS3
SCHEMBL8979895 0.89 LTB4R2 (0.49) LTB4R2BDKRB1SLC6A3SLC6A4BRS3
SCHEMBL8670621 0.84 LTB4R2 (0.51) LTB4R2BDKRB1SLC6A3SLC6A4BRS3
SCHEMBL8979746 0.82 LTB4R2 (0.55) LTB4R2BDKRB1SLC6A3SLC6A4BRS3
SCHEMBL9540659 0.81 ALDH1A1 (0.40)
SCHEMBL8671881 0.78 LTB4R2 (0.57) LTB4R2BDKRB1SLC6A3SLC6A4BRS3
SCHEMBL8979756 0.77 FFAR1 (0.49) LTB4R2AGTR1AGTR2ACHE
SCHEMBL9149746 0.76 ALDH1A1 (0.39) LTB4R2KDM4E
SCHEMBL9200534 0.74 LTB4R2 (0.42) LTB4R2BDKRB1KDM4E
SCHEMBL9153918 0.73 LTB4R2 (0.45) LTB4R2BDKRB1BRS3AGTR1AGTR2

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 3 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
EP-0641329-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1995-03-08 EP disclosed
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed