SCHEMBL8323719

SCHEMBL8323719

NC(=O)c1ccc(CCCc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.81
PTGER4 P35408 2/20 0.81
PTGER3 P43115 2/20 0.81
PTGER2 P43116 2/20 0.81
PARP1 P09874 1/20 0.60
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
PARP10 Q53GL7 3/20 0.57
ABCB1 P08183 3/20 0.51
MGLL Q99685 1/20 0.51
RXRA P19793 1/20 0.50
PPIA P62937 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
ATM Q13315 1/20 0.49
PLA2G10 O15496 1/20 0.49
PLA2G2A P14555 1/20 0.49
SGMS2 Q8NHU3 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48

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
SCHEMBL8319420 0.89 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8321768 0.86 PTGER1 (0.95) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8324836 0.85 PTGER1 (0.92) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL4001433 0.85 PARP1 (0.65) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL8321384 0.85 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8322717 0.85 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL9057460 0.84 HTR1A (0.79) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8674686 0.84 PTGER1 (0.64) PTGER1PTGER4PTGER3PTGER2PARP1
SCHEMBL8322772 0.83 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL9064386 0.83 PTGER1 (0.73) 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 3 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
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