SCHEMBL8675451

SCHEMBL8675451

O=C(O)c1ccccc1CCCc1ccc(O)cc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.56
PTGER4 P35408 3/20 0.56
PTGER3 P43115 3/20 0.56
PTGER2 P43116 3/20 0.56
FOLH1 Q04609 3/20 0.47
MCL1 Q07820 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
ELANE P08246 3/20 0.46
F2 P00734 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
GAA P10253 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
MGLL Q99685 1/20 0.44

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
SCHEMBL8676059 0.90 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8675205 0.88 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8675899 0.88 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8676630 0.85 MTNR1A (0.55) PTGER1PTGER4PTGER3PTGER2HTT
SCHEMBL8675521 0.85 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8676443 0.84 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8677422 0.84 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8320717 0.84 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8677124 0.83 MEN1 (0.56) PTGER1PTGER4PTGER3PTGER2GAA
SCHEMBL8676586 0.81 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2FOLH1

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