SCHEMBL7777393

SCHEMBL7777393

O=C(O)COc1cccc2c1CCCC2COC(=O)NN(c1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.74
TBXAS1 P24557 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.43
KDM4C Q9H3R0 3/20 0.41
PTGER1 P34995 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGDR Q13258 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7776692 0.90 PTGIR (0.61) PTGIRTBXAS1KDM4CCA1CA2
SCHEMBL9427087 0.87 PTGIR (0.81) PTGIRTBXAS1PTGDR2KDM4C
SCHEMBL9048557 0.85 PTGIR (1.00) PTGIRTBXAS1PTGDR2
SCHEMBL9046469 0.83 PTGIR (0.89) PTGIRTBXAS1PTGDR2
SCHEMBL9046416 0.82 PTGIR (0.70) PTGIRTBXAS1PTGDR2
SCHEMBL8858680 0.79 PTGIR (0.67) PTGIRTBXAS1PTGDR2PTGER1PTGER3
SCHEMBL9047479 0.78 PTGIR (0.85) PTGIRTBXAS1PTGDR2KDM4C
SCHEMBL8858692 0.78 PTGIR (0.65) PTGIRTBXAS1PTGDR2PTGER1PTGER3
SCHEMBL8858688 0.78 PTGIR (0.65) PTGIRTBXAS1PTGDR2PTGER1PTGER3
SCHEMBL9050868 0.77 PTGIR (0.64) PTGIRTBXAS1PTGDR2KDM4C

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-0749424-B1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-12 EP disclosed
US-5863918-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-26 US disclosed
US-5763489-A ANTICOAGULANTS AND HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
EP-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed