SCHEMBL9048529

SCHEMBL9048529

O=C(O)COc1cccc2c1CCCC2CCC(=O)NC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.66
TBXAS1 P24557 1/20 0.49
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL9047995 0.91 PTGIR (0.58) PTGIRTBXAS1SIGMAR1ALDH1A1HTT
SCHEMBL9048216 0.88 PTGIR (0.71) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9048590 0.84 PTGIR (0.71) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL8858477 0.83 PTGIR (0.52) PTGIRTBXAS1PTGDR2
SCHEMBL9048350 0.83 PTGIR (0.69) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9051699 0.83 PTGIR (0.69) PTGIRTBXAS1PTGDR2
SCHEMBL9049589 0.82 PTGIR (0.68) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9048575 0.81 PTGIR (0.64) PTGIRTBXAS1PTGDR2
SCHEMBL9045328 0.81 PTGIR (0.64) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9046463 0.81 PTGIR (0.62) PTGIRTBXAS1PTGDR2

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