SCHEMBL9049787

SCHEMBL9049787

NC(=O)C(CCCC(c1ccccc1)c1ccccc1)C1CCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.45
TBXAS1 P24557 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
SCHEMBL9048588 0.94 PTGIR (0.54) PTGIRPTGDR2TBXAS1
SCHEMBL9048942 0.89 PTGIR (0.55) PTGIRPTGDR2TBXAS1
SCHEMBL9427130 0.84 PTGIR (0.52) PTGIRPTGDR2TBXAS1
SCHEMBL9048523 0.82 PTGIR (0.50) PTGIRPTGDR2TBXAS1
SCHEMBL9046455 0.82 TBXAS1 (0.51) PTGIRPTGDR2TBXAS1
SCHEMBL9050354 0.82 PTGIR (0.57) PTGIRPTGDR2TBXAS1
SCHEMBL9427223 0.82 PTGIR (0.53) PTGIRPTGDR2TBXAS1
SCHEMBL9050662 0.81 PTGIR (0.47) PTGIRPTGDR2TBXAS1
SCHEMBL9050478 0.80 PTGIR (0.39) PTGIR
SCHEMBL9050054 0.79 PTGIR (0.55) PTGIRPTGDR2TBXAS1

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
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed