SCHEMBL9017290

SCHEMBL9017290

O=C(OCCC1c2ccccc2CCC1(O)O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.44
PTGDR Q13258 9/20 0.44
PTGER3 P43115 3/20 0.44
PTGER1 P34995 2/20 0.44
CHRM4 P08173 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
PTGER4 P35408 2/20 0.35
PTGER2 P43116 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL8080971 0.71 PTGIR (0.61) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL7776647 0.71 PTGIR (0.64) PTGIRPTGDRPTGER3PTGER1
SCHEMBL16964891 0.70 TDP1 (0.59) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL8078053 0.68 PTGIR (0.43) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL8082944 0.68 PTGIR (0.63) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL16965819 0.67 TDP1 (0.55) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL7779771 0.66 PTGIR (0.46) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8068504 0.66 BLM (0.54) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL29233093 0.65 LMNA (0.55) PTGIRPTGDRCHRM4CHRM3CHRM5
SCHEMBL7772410 0.64 SIGMAR1 (0.52) PTGIR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749424-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 EP disclosed