SCHEMBL8675829

SCHEMBL8675829

O=C(O)c1ccc(CCCc2ccccc2OCc2ccccc2)nc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.71
PTGER4 P35408 2/20 0.71
PTGER3 P43115 2/20 0.71
PTGER2 P43116 2/20 0.71
HTR1A P08908 2/20 0.50
DRD2 P14416 2/20 0.50
MGLL Q99685 1/20 0.48
RXRA P19793 7/20 0.47
RXRB P28702 6/20 0.47
RXRG P48443 5/20 0.47
HPGD P15428 1/20 0.47
ABCB1 P08183 1/20 0.47
FOLH1 Q04609 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
MAP4K4 O95819 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
SCHEMBL8676069 0.93 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8323253 0.89 PTGER4 (0.59) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8319420 0.83 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8325607 0.81 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8321768 0.81 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8324836 0.80 PTGER1 (0.92) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8318952 0.79 PTGER1 (0.76) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8322366 0.78 PTGER1 (0.71) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8327698 0.78 PTGER1 (0.78) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL15726355 0.78 PTGER1 (0.84) 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