SCHEMBL7716599

SCHEMBL7716599

O=C(OCC1=CCCc2c(O)cccc2C1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 14/20 0.39
PTGDR Q13258 9/20 0.39
PTGER3 P43115 3/20 0.39
PTGER1 P34995 2/20 0.39
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM4 P08173 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
PTGER4 P35408 2/20 0.33
PTGER2 P43116 2/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
MAOB P27338 1/20 0.32

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
SCHEMBL8081016 0.86 PTGIR (0.40) PTGIRPTGDRPTGER3PTGER1ATM
SCHEMBL7718289 0.84 PTGIR (0.59) PTGIRPTGDRPTGER3PTGER1
SCHEMBL7717797 0.79 PTGIR (0.41) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL7718281 0.74 PTGIR (0.36) PTGIRPTGDRPTGER3PTGER1ATM
SCHEMBL7777424 0.71 PTGIR (0.72) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7713218 0.70 PTGIR (0.63) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL7720294 0.69 PTGIR (0.54) PTGIRPTGDRPTGER3PTGER1PTGER4
SCHEMBL8078060 0.68 PTGIR (0.40) PTGIRPTGDRPTGER3PTGER1ATM
SCHEMBL7716647 0.68 PTGIR (0.50) PTGIRPTGDRPTGER3PTGER1CHRM4
SCHEMBL7104991 0.66 ATM (0.41) PTGIRPTGDRPTGER3PTGER1ATM

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
US-6384072-B1 CARBAMYL SUBSTITUTED COMPOUNDS WITH ETHER GROUPS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed