SCHEMBL9280307

SCHEMBL9280307

CCCCC(=O)C(Cc1ccc(-c2ccccc2)c(C(=O)OC)c1)C(=O)COC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 8/20 0.46
BDKRB1 P46663 3/20 0.41
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37
KMT2A Q03164 1/20 0.37
FOLH1 Q04609 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PLA2G2A P14555 1/20 0.37
AGTR1 P30556 2/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL9205175 0.90 LTB4R2 (0.48) LTB4R2BDKRB1PPARAALDH1A1ALOX12
SCHEMBL8979746 0.88 LTB4R2 (0.55) LTB4R2BDKRB1AGTR1AGTR2
SCHEMBL9200534 0.83 LTB4R2 (0.42) LTB4R2BDKRB1PPARAALDH1A1FOLH1
SCHEMBL9204918 0.81 LTB4R2 (0.40) LTB4R2PPARAALDH1A1CYP2C9CNR1
SCHEMBL8979799 0.79 LTB4R2 (0.53) LTB4R2BDKRB1AGTR1AGTR2
SCHEMBL9153918 0.78 LTB4R2 (0.45) LTB4R2BDKRB1AGTR1AGTR2
SCHEMBL8671881 0.77 LTB4R2 (0.57) LTB4R2BDKRB1AGTR1AGTR2
SCHEMBL8979895 0.76 LTB4R2 (0.49) LTB4R2BDKRB1AGTR1AGTR2
SCHEMBL9195365 0.73 LTB4R2 (0.39) LTB4R2PPARAALDH1A1ALOX12KMT2A
SCHEMBL8979749 0.73 LTB4R2 (0.48) LTB4R2BDKRB1KDM4EAGTR1AGTR2

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
EP-0641329-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1995-03-08 EP disclosed