SCHEMBL8675205

SCHEMBL8675205

O=C(O)c1ccccc1CCCc1ccccc1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.71
PTGER4 P35408 3/20 0.71
PTGER3 P43115 3/20 0.71
PTGER2 P43116 3/20 0.71
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
MGLL Q99685 1/20 0.56
HTT P42858 2/20 0.55
TP53 P04637 1/20 0.55
FOLH1 Q04609 4/20 0.53
ABCB1 P08183 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SGMS2 Q8NHU3 2/20 0.50

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
SCHEMBL8675521 0.97 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8677422 0.96 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8677351 0.89 PTGER1 (0.64) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8674686 0.89 PTGER1 (0.64) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8677245 0.88 ABCB1 (0.64) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8677649 0.88 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8676059 0.88 PTGER1 (0.57) PTGER1PTGER4PTGER3PTGER2HTT
SCHEMBL8675451 0.88 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675788 0.88 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8676742 0.87 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2HTT

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