SCHEMBL8813299

SCHEMBL8813299

O=C(O)COc1cccc2c1CCC(C=CCn1cc(C(c3ccccc3)n3ccnc3)cn1)C2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.54
TBXAS1 P24557 2/20 0.43
PTGDR Q13258 1/20 0.41

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
SCHEMBL8808633 1.00 PTGIR (0.54) PTGIRTBXAS1PTGDR
SCHEMBL8813301 0.90 PTGIR (0.42) PTGIRTBXAS1
SCHEMBL8412675 0.86 PTGIR (0.73) PTGIRTBXAS1PTGDR
SCHEMBL8810712 0.86 CYP19A1 (0.40) PTGIRTBXAS1
SCHEMBL8810714 0.86 CYP19A1 (0.40) PTGIRTBXAS1
SCHEMBL8810877 0.84 PTGIR (0.65) PTGIRTBXAS1PTGDR
SCHEMBL8808701 0.84 PTGIR (0.65) PTGIRTBXAS1PTGDR
SCHEMBL8812792 0.81 PTGIR (0.64) PTGIRPTGDR
SCHEMBL8814201 0.81 PTGIR (0.64) PTGIRPTGDR
SCHEMBL8814193 0.81 PTGIR (0.64) PTGIRPTGDR

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 6 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
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed