SCHEMBL7777449

SCHEMBL7777449

CCOC(=O)COc1cccc2c1CCC(F)(COC(=O)N(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.63
PTGER1 P34995 1/20 0.63
PTGER3 P43115 1/20 0.63
PTGDR Q13258 1/20 0.63
ABCB1 P08183 1/20 0.38
USP2 O75604 1/20 0.38
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PTPN1 P18031 1/20 0.35
S1PR4 O95977 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8484992 0.91 PTGIR (0.58) PTGIRPTGER1PTGER3PTGDRABCB1
SCHEMBL7777223 0.89 PTGIR (0.78) PTGIRPTGER1PTGER3PTGDR
SCHEMBL7778514 0.89 PTGIR (0.80) PTGIRPTGER1PTGER3PTGDRABCB1
SCHEMBL7778523 0.89 PTGIR (0.80) PTGIRPTGER1PTGER3PTGDRABCB1
SCHEMBL7776656 0.89 PTGIR (0.80) PTGIRPTGER1PTGER3PTGDRABCB1
SCHEMBL7776713 0.89 PTGIR (0.63) PTGIRPTGER1PTGER3PTGDRABCB1
SCHEMBL7047631 0.87 PTGIR (0.74) PTGIRPTGER1PTGER3PTGDRABCB1
SCHEMBL7050461 0.86 PTGIR (0.73) PTGIRPTGER1PTGER3PTGDRABCB1
SCHEMBL8485899 0.84 PTGIR (0.67) PTGIRPTGER1PTGER3PTGDRABCB1
SCHEMBL8484987 0.84 PTGIR (0.52) PTGIRPTGER1PTGER3PTGDRABCB1

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