SCHEMBL8633392

SCHEMBL8633392

O=C(O)COc1cccc2c1CCCC2Cn1cc(C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 14/20 0.72
TBXAS1 P24557 3/20 0.55
KDM4C Q9H3R0 3/20 0.42

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 0.90 PTGIR (0.89) PTGIRTBXAS1KDM4C
SCHEMBL8411068 0.83 PTGIR (1.00) PTGIRTBXAS1KDM4C
SCHEMBL8410718 0.82 PTGIR (0.90) PTGIRTBXAS1
SCHEMBL8411300 0.81 PTGIR (0.85) PTGIRTBXAS1
SCHEMBL8413356 0.80 PTGIR (0.89) PTGIRTBXAS1
SCHEMBL8520475 0.79 PTGIR (0.70) PTGIRTBXAS1KDM4C
SCHEMBL8411096 0.78 PTGIR (0.90) PTGIRTBXAS1
SCHEMBL8858482 0.77 PTGIR (0.61) PTGIRTBXAS1KDM4C
SCHEMBL9014526 0.76 TBXAS1 (0.63) PTGIRTBXAS1KDM4C
SCHEMBL8411294 0.76 PTGIR (0.57) PTGIRTBXAS1

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
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed