SCHEMBL8406366

SCHEMBL8406366

CC(C)c1cccc(CCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.53
DRD2 P14416 2/20 0.53
BCHE P06276 10/20 0.48
GLRA1 P23415 1/20 0.48
ABCB1 P08183 7/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 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
SCHEMBL8409959 0.89 PTGER4 (0.53) GLRA1PTGER1PTGER4PTGER3PTGER2
SCHEMBL28078446 0.85 GLRA1 (0.60) BCHEGLRA1
SCHEMBL8409882 0.85 MRGPRX4 (0.55) GLRA1
SCHEMBL8406586 0.85 GLRA1 (0.51) BCHEGLRA1PTGER1PTGER4PTGER3
SCHEMBL8406801 0.82 HPGD (0.50) GLRA1
SCHEMBL8409057 0.82 HTR1A (0.37) HTR1ADRD2BCHEGLRA1ABCB1
SCHEMBL6036279 0.81 GLRA1 (0.54) GLRA1PTGER1PTGER4PTGER3PTGER2
SCHEMBL25760547 0.81 GLRA1 (0.45) BCHEGLRA1
SCHEMBL8796653 0.80 PTGER4 (0.52) GLRA1PTGER1PTGER4PTGER3PTGER2
SCHEMBL29511190 0.78 HTR1A (0.44) HTR1ADRD2ABCB1

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-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed