SCHEMBL7717812

SCHEMBL7717812

O=C(OCC1CCCc2c(O)cccc2C1O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 18/20 0.44
PTGDR Q13258 9/20 0.44
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
PTGER1 P34995 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
BLM P54132 1/20 0.37

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
SCHEMBL7717821 0.85 PTGIR (0.60) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL8068504 0.84 BLM (0.54) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7718887 0.79 PTGIR (0.40) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7779771 0.79 PTGIR (0.46) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7778604 0.78 PTGIR (0.64) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7778607 0.78 PTGIR (0.64) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7778660 0.78 PTGIR (0.64) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7713218 0.77 PTGIR (0.63) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7720294 0.76 PTGIR (0.54) PTGIRPTGDRPTGER4PTGER3PTGER2
SCHEMBL7717829 0.74 PTGIR (0.65) PTGIRPTGDRPTGER4PTGER3PTGER2

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