SCHEMBL8329639

SCHEMBL8329639

C=CCOc1cccc(COc2ccccc2CCCc2ccc(C(=O)OC)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.53
PTGER4 P35408 1/20 0.53
PTGER3 P43115 1/20 0.53
PTGER2 P43116 1/20 0.53
ABCB1 P08183 8/20 0.47
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
BCHE P06276 2/20 0.46
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8320689 0.84 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2ABCB1
SCHEMBL8322717 0.82 PTGER1 (0.77) PTGER1PTGER4PTGER3PTGER2ABCB1
SCHEMBL8325118 0.82 PTGER1 (0.60) PTGER1PTGER4PTGER3PTGER2ABCB1
SCHEMBL9064386 0.81 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2ABCB1
SCHEMBL8327569 0.80 PTGER1 (0.73) PTGER1PTGER4PTGER3PTGER2ABCB1
SCHEMBL8322700 0.80 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8675775 0.80 PTGER1 (0.56) PTGER1PTGER4PTGER3PTGER2ABCB1
SCHEMBL8322781 0.79 PTGER1 (0.53) PTGER1PTGER4PTGER3PTGER2BCHE
SCHEMBL8323711 0.77 PTGER1 (0.65) PTGER1PTGER4PTGER3PTGER2BCHE
SCHEMBL8327593 0.76 PTGER4 (0.62) PTGER1PTGER4PTGER3PTGER2ABCB1

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