SCHEMBL8626475

SCHEMBL8626475

O=C(O)COc1cccc2c1CCCC2CCNS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.57
TBXAS1 P24557 1/20 0.49
GAA P10253 1/20 0.44
SIGMAR1 Q99720 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 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
SCHEMBL8626228 1.00 PTGIR (0.57) PTGIRTBXAS1GAASIGMAR1PTGDR2
SCHEMBL8626755 0.86 PTGIR (0.42) PTGIRGAASIGMAR1ALDH1A1MAPT
SCHEMBL8599522 0.83 PTGIR (0.48) PTGIRTBXAS1PTGDR2
SCHEMBL8599525 0.83 PTGIR (0.48) PTGIRTBXAS1PTGDR2
SCHEMBL8626753 0.82 GAA (0.44) PTGIRGAASIGMAR1ALDH1A1MAPT
SCHEMBL9155513 0.78 PTGIR (0.69) PTGIRTBXAS1SIGMAR1PTGDR2KDM4C
SCHEMBL9155480 0.77 PTGIR (0.68) PTGIRTBXAS1SIGMAR1PTGDR2KDM4C
SCHEMBL10554252 0.76 PTGIR (0.58) PTGIRTBXAS1PTGDR2ALDH1A1KDM4C
SCHEMBL8858587 0.76 PTGIR (0.72) PTGIRTBXAS1SIGMAR1PTGDR2
SCHEMBL9050868 0.74 PTGIR (0.64) PTGIRTBXAS1PTGDR2ALDH1A1KDM4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP claimed
EP-0657422-A1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-14 EP claimed
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP disclosed
US-5624959-A INHIBITING UTERINE CONTRACTIONS, PROSTAGLANDIN ANTAGONIST OR AGONIST, ANALGESICS AND ANTISECRETORY AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed
EP-0657422-A1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-14 EP disclosed