SCHEMBL8322700

SCHEMBL8322700

COC(=O)c1ccc(CCCc2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.56
PTGER4 P35408 1/20 0.56
PTGER3 P43115 1/20 0.56
PTGER2 P43116 1/20 0.56
KMT2A Q03164 6/20 0.52
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
MEN1 O00255 5/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 4/20 0.51
HTR1A P08908 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
LMNA P02545 2/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL8324001 0.88 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8320689 0.86 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8322717 0.85 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8325118 0.85 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL9064386 0.83 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8327569 0.83 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8675775 0.82 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8329639 0.80 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL28317001 0.79 MAOB (0.79) KMT2AMAOBMAOAMEN1ALDH1A1
SCHEMBL8327593 0.79 PTGER4 (0.62) 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 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