SCHEMBL8078053

SCHEMBL8078053

O=C(OCC12CCCc3ccccc3C1O2)N(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.43
PTGDR Q13258 8/20 0.43
PTGER3 P43115 3/20 0.43
PTGER1 P34995 2/20 0.43
PTGER4 P35408 2/20 0.36
PTGER2 P43116 2/20 0.36
CHRM4 P08173 2/20 0.35
CHRM3 P20309 2/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7718894 0.81 PTGIR (0.64) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8080971 0.79 PTGIR (0.61) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7779689 0.77 PTGIR (0.69) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL14181690 0.75 ACP3 (0.35) ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL8082944 0.73 PTGIR (0.63) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7778654 0.73 PTGIR (0.56) PTGIRPTGDRPTGER3PTGER1ALDH1A1
SCHEMBL8078078 0.73 PTGIR (0.44) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7778668 0.72 PTGIR (0.47) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL8068504 0.69 BLM (0.54) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL9017290 0.68 PTGIR (0.44) PTGIRPTGDRPTGER3PTGER1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030834-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP disclosed
WO-1999024397-A1 BENZOCYCLOHEPTENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-05-20 WO disclosed