SCHEMBL8411192

SCHEMBL8411192

O=C(O)COc1cccc2c1CCC(Cn1cc(Cc3ccccc3-c3cccnc3)cn1)=C2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.61
TBXAS1 P24557 3/20 0.36
DHPS P49366 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G1B P04054 4/20 0.35
PTGDR Q13258 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
PLA2G10 O15496 2/20 0.34
PLA2G2A P14555 2/20 0.34
PLA2G5 P39877 2/20 0.34
PLA2G2E Q9NZK7 1/20 0.34

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
SCHEMBL8812372 0.89 PTGIR (0.59) PTGIRALDH1A1L3MBTL1PLA2G1BPTGDR
SCHEMBL8811350 0.83 PTGIR (0.59) PTGIRTBXAS1ALDH1A1PLA2G1BPTGDR
SCHEMBL8411299 0.80 PTGIR (0.41) PTGIRTBXAS1DHPSALDH1A1PLA2G1B
SCHEMBL8411186 0.79 PTGIR (0.88) PTGIRTBXAS1
SCHEMBL8413362 0.79 PTGIR (0.62) PTGIRPTGDR
SCHEMBL8520476 0.79 PTGIR (0.64) PTGIRTBXAS1PLA2G1BPTGDR
SCHEMBL8808707 0.77 PTGIR (0.46) PTGIRTBXAS1PTGDR
SCHEMBL8410896 0.76 PTGIR (1.00) PTGIRTBXAS1ALDH1A1PTGDRSMN1; SMN2
SCHEMBL8809952 0.73 PTGIR (0.72) PTGIRTBXAS1ALDH1A1PLA2G1B
SCHEMBL8811711 0.70 PTGIR (0.86) PTGIRALDH1A1PTGDRSMN1; SMN2PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP claimed
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed