SCHEMBL8413360

SCHEMBL8413360

CC(=O)Oc1cccc2c1CCC(Cn1cc(C(c3ccccc3)c3cccnc3)cn1)C2

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 0.69
TBXAS1 P24557 2/20 0.50
PTGDR Q13258 2/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL8411303 0.97 PTGIR (0.65) PTGIRTBXAS1PTGDRSIGMAR1
SCHEMBL8410742 0.94 PTGIR (0.77) PTGIRTBXAS1PTGDR
SCHEMBL8412656 0.91 PTGIR (0.68) PTGIRTBXAS1PTGDR
SCHEMBL8414219 0.90 PTGIR (0.66) PTGIRTBXAS1PTGDR
SCHEMBL8413356 0.89 PTGIR (0.89) PTGIRTBXAS1PTGDR
SCHEMBL8811344 0.88 PTGIR (0.68) PTGIRTBXAS1PTGDR
SCHEMBL8414286 0.88 PTGIR (0.68) PTGIRTBXAS1PTGDR
SCHEMBL8519034 0.88 PTGIR (0.68) PTGIRTBXAS1PTGDR
SCHEMBL8414432 0.87 PTGIR (0.68) PTGIRTBXAS1PTGDR
SCHEMBL8411300 0.87 PTGIR (0.85) 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