SCHEMBL8599525

SCHEMBL8599525

O=C(O)COc1cccc2c1CCCC2NS(=O)(=O)C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ACHE P22303 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
HSP90AA1 P07900 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TBXAS1 P24557 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
LMNA P02545 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL8599522 1.00 PTGIR (0.48) PTGIRCA1CA2ACHEPTGDR2
SCHEMBL8600077 0.84 PTGIR (0.52) PTGIRCA1CA2ACHEPTGDR2
SCHEMBL8626475 0.83 PTGIR (0.57) PTGIRPTGDR2TBXAS1
SCHEMBL8626228 0.83 PTGIR (0.57) PTGIRPTGDR2TBXAS1
SCHEMBL10357606 0.83 PTGIR (0.52) PTGIRCA1CA2ACHEPTGDR2
SCHEMBL14211188 0.80 PTGDR2 (0.52) PTGIRCA1CA2ACHEPTGDR2
SCHEMBL1842695 0.79 CYP1A2 (0.50) PTGIRCA1CA2ACHEPTGDR2
SCHEMBL8602826 0.78 PTGIR (0.50) PTGIRCA1CA2ACHEHSP90AA1
SCHEMBL8602824 0.78 PTGIR (0.50) PTGIRCA1CA2ACHEHSP90AA1
SCHEMBL10357228 0.78 CYP1A2 (0.48) PTGIRCA1CA2ACHEPTGDR2

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 6 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-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US 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