SCHEMBL9050562

SCHEMBL9050562

O=C(CO)Oc1cccc2c1CCCC2C(=O)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.40
DRD4 P21917 1/20 0.40
PDE5A O76074 1/20 0.39
BDKRB1 P46663 1/20 0.37
KCNH2 Q12809 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
PTGIR P43119 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL9048548 0.86 PTGIR (0.51) NPSR1ALDH1A1DRD4PDE5APTGIR
SCHEMBL9050555 0.82 NPSR1 (0.47) NPSR1ALDH1A1PDE5ABDKRB1KCNH2
SCHEMBL9051667 0.79 PTGIR (0.44) NPSR1ALDH1A1DRD4PTGIR
SCHEMBL9568017 0.78 KCNQ2 (0.53) NPSR1ALDH1A1PDE5ATAS1R3TAS1R1
SCHEMBL9048139 0.78 DRD4 (0.47) DRD4PTGIR
SCHEMBL9427064 0.78 LMNA (0.45) DRD4PTGIR
SCHEMBL9048933 0.77 PTGIR (0.52) DRD4PTGIR
SCHEMBL9048474 0.76 PTGIR (0.36) DRD4TAS1R3TAS1R1TAS1R2PTGIR
SCHEMBL9046170 0.76 PTGIR (0.44) DRD4PTGIR
SCHEMBL9048623 0.75 DRD4 (0.49) DRD4PTGIR

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
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed