SCHEMBL8412776

SCHEMBL8412776

CCC(=O)Oc1cccc2c1CCC(CCn1cnc(-c3ccccc3)c1-c1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.45
PTGDR Q13258 8/20 0.44
PTGS2 P35354 1/20 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
SCHEMBL8810596 0.91 PTGIR (0.46) PTGIRPTGDRPTGS2
SCHEMBL8412775 0.87 PTGIR (0.49) PTGIRPTGDR
SCHEMBL8809968 0.87 PTGIR (0.59) PTGIRPTGDR
SCHEMBL8412021 0.82 PTGIR (0.51) PTGIRPTGDR
SCHEMBL8411234 0.81 PTGIR (0.46) PTGIRPTGS2
SCHEMBL8412019 0.78 PTGIR (0.65) PTGIRPTGDR
SCHEMBL8410517 0.76 PTGIR (0.48) PTGIR
SCHEMBL8811301 0.72 PTGIR (0.46) PTGIRPTGS2
SCHEMBL8810297 0.72 PTGIR (0.44) PTGIRPTGDRPTGS2
SCHEMBL8413473 0.71 PTGIR (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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