SCHEMBL7777424

SCHEMBL7777424

O=C(OCC1CCc2c(O)cccc2C1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 0.72
PTGDR Q13258 9/20 0.52
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
PTGER1 P34995 1/20 0.47
CYP19A1 P11511 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL7713218 0.93 PTGIR (0.63) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7720294 0.85 PTGIR (0.54) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7779671 0.85 PTGIR (0.77) PTGIRPTGDRCYP19A1CA1CA2
SCHEMBL7772466 0.84 PTGIR (1.00) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7776687 0.80 PTGIR (0.82) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7778633 0.80 PTGIR (0.80) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7776652 0.78 PTGIR (0.66) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7713222 0.78 PTGIR (0.89) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7716647 0.75 PTGIR (0.50) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL8413532 0.74 CYP19A1 (0.57) PTGIRCYP19A1CA1CA2ACHE

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