SCHEMBL7776642

SCHEMBL7776642

CCOC(=O)COc1cccc2c1CCC(O)C2CCOC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 14/20 0.49
PTGDR Q13258 3/20 0.43
PTGER1 P34995 1/20 0.43
PTGER3 P43115 1/20 0.43
USP2 O75604 1/20 0.39
ABCB1 P08183 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ITGA4 P13612 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
TLR9 Q9NR96 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7778653 1.00 PTGIR (0.49) PTGIRPTGDRPTGER1PTGER3USP2
SCHEMBL7778658 1.00 PTGIR (0.49) PTGIRPTGDRPTGER1PTGER3USP2
SCHEMBL7776681 1.00 PTGIR (0.49) PTGIRPTGDRPTGER1PTGER3USP2
SCHEMBL7776679 1.00 PTGIR (0.49) PTGIRPTGDRPTGER1PTGER3USP2
SCHEMBL7778469 0.91 PTGIR (0.46) PTGIRPTGDRPTGER1PTGER3USP2
SCHEMBL7778516 0.90 PTGIR (0.60) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7777534 0.90 PTGIR (0.60) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7777531 0.90 PTGIR (0.60) PTGIRPTGDRPTGER1PTGER3
SCHEMBL8487891 0.88 PTGIR (0.49) PTGIRPTGDRPTGER1PTGER3USP2
SCHEMBL7772386 0.85 PTGIR (0.54) PTGIRPTGDRPTGER1PTGER3

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 4 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
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed