SCHEMBL7779771

SCHEMBL7779771

O=C(OCCC1CCCc2c(O)cccc21)N(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.46
SIGMAR1 Q99720 1/20 0.43
PTGDR Q13258 4/20 0.40
TBXAS1 P24557 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PTGER3 P43115 2/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.36
PTGER2 P43116 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
SCHEMBL7772410 0.86 SIGMAR1 (0.52) PTGIRSIGMAR1
SCHEMBL7778533 0.84 PTGIR (0.67) PTGIRPTGDRTBXAS1PTGER3PTGER1
SCHEMBL7772386 0.80 PTGIR (0.54) PTGIRSIGMAR1PTGDRTBXAS1PTGER3
SCHEMBL7717812 0.79 PTGIR (0.44) PTGIRPTGDRTAS1R3TAS1R1TAS1R2
SCHEMBL7713218 0.73 PTGIR (0.63) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7717829 0.73 PTGIR (0.65) PTGIRPTGDRTAS1R3TAS1R1TAS1R2
SCHEMBL5724520 0.70 ESR1 (0.48) SIGMAR1TAS1R3TAS1R1TAS1R2ESR1
SCHEMBL7776691 0.69 ESR1 (0.53) SIGMAR1TAS1R3TAS1R1TAS1R2ESR1
SCHEMBL9048482 0.69 PTGIR (0.48) PTGIRSIGMAR1
SCHEMBL8858400 0.69 PTGIR (0.75) PTGIRSIGMAR1PTGDRTBXAS1PTGER3

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