SCHEMBL8675775

SCHEMBL8675775

COC(=O)c1ccc(CCCc2ccccc2OCc2cccc(NC(C)=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
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPIA P62937 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
SIRT2 Q8IXJ6 2/20 0.45
SIRT3 Q9NTG7 2/20 0.45
SIRT1 Q96EB6 1/20 0.45
GAA P10253 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL8320635 0.87 MEN1 (0.56) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8320689 0.86 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL8322717 0.85 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8325118 0.85 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2KMT2A
SCHEMBL9064386 0.83 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8327569 0.83 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8322700 0.82 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8325723 0.80 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8329639 0.80 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2MEN1
SCHEMBL8327593 0.79 PTGER4 (0.62) PTGER1PTGER4PTGER3PTGER2LMNA

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
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