SCHEMBL7778677

SCHEMBL7778677

O=C(O)COc1cccc2c1CCC(O)(COC(=O)N(c1ccccc1)c1ccccc1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 19/20 1.00
PTGDR Q13258 5/20 1.00
PTGER3 P43115 2/20 1.00
PTGER1 P34995 1/20 1.00
PTGER4 P35408 1/20 0.37
PTGER2 P43116 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
SCHEMBL29760759 1.00 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL6612986 1.00 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL6612991 1.00 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7051509 0.95 PTGIR (0.91) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7050827 0.95 PTGIR (0.91) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7713237 0.95 PTGIR (0.90) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7048691 0.94 PTGIR (0.89) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7050802 0.93 PTGIR (0.87) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7052038 0.93 PTGIR (0.86) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7052364 0.90 PTGIR (0.82) PTGIRPTGDRPTGER3PTGER1PTGER4

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 3 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 claimed
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