SCHEMBL7779785

SCHEMBL7779785

CCOC(=O)COc1cccc2c1CCCC2CCn1nc(C(c2ccccc2)c2ccccc2)ccc1=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 0.56
PTGDR2 Q9Y5Y4 2/20 0.41
TBXAS1 P24557 1/20 0.41
PTGDR Q13258 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 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
SCHEMBL7776640 0.90 PTGIR (0.68) PTGIRPTGDR2TBXAS1PTGDR
SCHEMBL7772438 0.85 PTGIR (0.51) PTGIRSIGMAR1HTR1AADRA1A
SCHEMBL8583025 0.83 PTGIR (0.47) PTGIRPTGDR2
SCHEMBL7777390 0.81 PTGIR (0.47) PTGIRPTGDR2PTGDRSIGMAR1
SCHEMBL7777416 0.78 PTGIR (0.81) PTGIRPTGDR
SCHEMBL7777412 0.78 PTGIR (0.81) PTGIRPTGDR
SCHEMBL9005581 0.78 PTGIR (0.70) PTGIRTBXAS1SIGMAR1HTR1AADRA1A
SCHEMBL9005657 0.77 PTGIR (0.53) PTGIRTBXAS1
SCHEMBL7772457 0.77 PTGIR (0.53) PTGIRPTGDR2PTGDR
SCHEMBL7772428 0.75 PTGIR (0.54) PTGIRPTGDR2PTGDR

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