SCHEMBL8520476

SCHEMBL8520476

O=C(O)COc1cccc2c1CCCC2CCn1cc(Cc2ccccc2-c2cccnc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.64
TBXAS1 P24557 1/20 0.55
KDM4C Q9H3R0 3/20 0.39
PTGDR Q13258 2/20 0.37
PLA2G1B P04054 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
SCHEMBL8520473 0.82 PTGIR (0.89) PTGIRTBXAS1KDM4C
SCHEMBL8411299 0.80 PTGIR (0.41) PTGIRTBXAS1PTGDRPLA2G1B
SCHEMBL8413362 0.80 PTGIR (0.62) PTGIRPTGDR
SCHEMBL8411192 0.79 PTGIR (0.61) PTGIRTBXAS1PTGDRPLA2G1B
SCHEMBL8411068 0.78 PTGIR (1.00) PTGIRTBXAS1KDM4C
SCHEMBL8808707 0.77 PTGIR (0.46) PTGIRTBXAS1PTGDR
SCHEMBL8410718 0.74 PTGIR (0.90) PTGIRTBXAS1
SCHEMBL8410702 0.73 PTGIR (0.60) PTGIRTBXAS1
SCHEMBL8633392 0.73 PTGIR (0.72) PTGIRTBXAS1KDM4C
SCHEMBL8411096 0.73 PTGIR (0.90) PTGIRTBXAS1PTGDR

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 4 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