SCHEMBL8674686

SCHEMBL8674686

NC(=O)c1ccccc1CCCc1ccccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.64
PTGER4 P35408 3/20 0.64
PTGER3 P43115 3/20 0.64
PTGER2 P43116 3/20 0.64
HTR1A P08908 1/20 0.56
DRD2 P14416 1/20 0.56
PARP1 P09874 1/20 0.56
HTT P42858 1/20 0.56
MGLL Q99685 1/20 0.53
ABCB1 P08183 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
FOLH1 Q04609 1/20 0.48
SGMS2 Q8NHU3 2/20 0.48
SIRT2 Q8IXJ6 2/20 0.46
NPC1 O15118 1/20 0.46
PARP10 Q53GL7 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
SCHEMBL8675205 0.89 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675521 0.86 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8677422 0.84 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8323719 0.84 PTGER1 (0.81) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL718082 0.82 PARP1 (0.79) PARP1HTTMEN1KMT2ASGMS2
SCHEMBL3376462 0.82 SIRT2 (0.50) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL8677351 0.81 PTGER1 (0.64) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL9057460 0.80 HTR1A (0.79) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675788 0.80 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL17197391 0.80 HTR1A (0.79) 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