SCHEMBL8322772

SCHEMBL8322772

CN(O)C(=O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.73
PTGER4 P35408 2/20 0.73
PTGER3 P43115 2/20 0.73
PTGER2 P43116 2/20 0.73
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
LTB4R Q15722 1/20 0.52
ABCB1 P08183 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALOX5 P09917 1/20 0.48
MGLL Q99685 1/20 0.47
PPARD Q03181 1/20 0.46
RXRA P19793 2/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL8323063 0.86 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8319420 0.85 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8322717 0.83 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8323719 0.83 PTGER1 (0.81) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8321768 0.82 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8324836 0.81 PTGER1 (0.92) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL9064386 0.81 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8321384 0.81 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8327569 0.81 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL9506078 0.80 ALOX5 (0.63) MEN1KMT2AALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed