SCHEMBL9046455

SCHEMBL9046455

NC(=O)C(CC(c1ccccc1)c1cccnc1)C1CCCc2c(OCC(=O)O)cccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.51
PTGIR P43119 12/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4C Q9H3R0 1/20 0.38

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
SCHEMBL9048942 0.92 PTGIR (0.55) TBXAS1PTGIRPTGDR2
SCHEMBL9050662 0.84 PTGIR (0.47) TBXAS1PTGIRPTGDR2
SCHEMBL9048588 0.84 PTGIR (0.54) TBXAS1PTGIRPTGDR2
SCHEMBL9427304 0.83 TBXAS1 (0.50) TBXAS1PTGIRPTGDR2KDM4C
SCHEMBL9049787 0.82 PTGIR (0.55) TBXAS1PTGIRPTGDR2
SCHEMBL9048523 0.81 PTGIR (0.50) TBXAS1PTGIRPTGDR2
SCHEMBL9048934 0.79 PTGIR (0.39) PTGIR
SCHEMBL9427223 0.77 PTGIR (0.53) TBXAS1PTGIRPTGDR2
SCHEMBL9050354 0.76 PTGIR (0.57) TBXAS1PTGIRPTGDR2
SCHEMBL9427130 0.76 PTGIR (0.52) TBXAS1PTGIRPTGDR2

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