SCHEMBL7779776

SCHEMBL7779776

COC(=O)COc1cccc2c1CCC(CN(C)C(=O)OC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.55
TBXAS1 P24557 2/20 0.47

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
SCHEMBL7778591 0.92 PTGIR (0.66) PTGIRTBXAS1
SCHEMBL9017302 0.91 PTGIR (0.58) PTGIRTBXAS1
SCHEMBL9017307 0.84 PTGIR (0.49) PTGIRTBXAS1
SCHEMBL7778755 0.84 PTGIR (0.57) PTGIRTBXAS1
SCHEMBL8858398 0.78 PTGIR (0.59) PTGIRTBXAS1
SCHEMBL8858408 0.78 PTGIR (0.63) PTGIRTBXAS1
SCHEMBL8576525 0.77 PTGIR (0.62) PTGIRTBXAS1
SCHEMBL8858458 0.77 PTGIR (0.58) PTGIRTBXAS1
SCHEMBL8858457 0.76 PTGIR (0.57) PTGIRTBXAS1
SCHEMBL7776687 0.76 PTGIR (0.82) PTGIR

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-0749424-B1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-12 EP disclosed
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed