SCHEMBL9047770

SCHEMBL9047770

O=C(O)COc1cccc2c1CCCC2CCC(=O)NN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 10/20 0.70
TBXAS1 P24557 1/20 0.62
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
PTGDR Q13258 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL9427135 0.90 PTGIR (0.69) PTGIRTBXAS1MEN1KMT2APTGDR2
SCHEMBL9046359 0.84 PTGIR (0.61) PTGIRTBXAS1MEN1KMT2APTGDR2
SCHEMBL9046310 0.82 PTGIR (0.61) PTGIRTBXAS1MEN1KMT2APTGDR2
SCHEMBL9014426 0.82 PTGIR (1.00) PTGIRTBXAS1PTGDR2PTGDR
SCHEMBL9048557 0.82 PTGIR (1.00) PTGIRTBXAS1PTGDR2SIGMAR1
SCHEMBL9048216 0.81 PTGIR (0.71) PTGIRTBXAS1PTGDR2SIGMAR1KDM4C
SCHEMBL9048590 0.81 PTGIR (0.71) PTGIRTBXAS1PTGDR2SIGMAR1KDM4C
SCHEMBL9046402 0.81 PTGIR (0.66) PTGIRTBXAS1PTGDR2KDM4C
SCHEMBL9568002 0.80 MEN1 (0.49) PTGIRMEN1KMT2ASIGMAR1KDM4C
SCHEMBL9047343 0.79 PTGIR (0.66) 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
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