SCHEMBL8677351

SCHEMBL8677351

O=C(O)c1cccc(CCCc2ccccc2OCc2ccccc2)c1O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.64
PTGER4 P35408 3/20 0.64
PTGER3 P43115 3/20 0.64
PTGER2 P43116 3/20 0.64
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
FOLH1 Q04609 2/20 0.52
HMGB1 P09429 1/20 0.51
MGLL Q99685 1/20 0.51
MCL1 Q07820 1/20 0.47
HTT P42858 2/20 0.47
ABCB1 P08183 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46

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
SCHEMBL8674773 0.95 HTR1A (0.60) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675205 0.89 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675521 0.86 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675788 0.86 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8677422 0.85 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8674578 0.84 PTGER4 (0.60) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL11066129 0.83 HMGB1 (0.63) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL7050350 0.83 PTGER1 (0.61) PTGER1FOLH1MCL1HTTALDH1A1
SCHEMBL31557601 0.83 ALDH1A1 (0.55) PTGER1FOLH1MCL1HTTALDH1A1
SCHEMBL8677356 0.83 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2HTR1A

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed