SCHEMBL8406368

SCHEMBL8406368

CC(C)c1cccc(C=Cc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
NFE2L2 Q16236 3/20 0.46
GLRA1 P23415 2/20 0.45
PPARG P37231 1/20 0.40
PTGER4 P35408 3/20 0.40
PTGER3 P43115 3/20 0.40
PTGER2 P43116 3/20 0.40
PTGER1 P34995 2/20 0.40
RELA Q04206 1/20 0.40
TRPA1 O75762 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP19A1 P11511 1/20 0.39
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38

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
SCHEMBL25760548 0.87 GLRA1 (0.46) GLRA1PTGER4PTGER3PTGER2PTGER1
SCHEMBL6035907 0.83 GLRA1 (0.50) GLRA1PTGER4PTGER3PTGER2PTGER1
SCHEMBL28078446 0.82 GLRA1 (0.60) GLRA1BCHEMAOB
SCHEMBL8409750 0.81 PTGER4 (0.56) LCKNFE2L2PPARGPTGER4PTGER3
SCHEMBL8406768 0.81 PTGER4 (0.56) LCKNFE2L2PPARGPTGER4PTGER3
SCHEMBL8406054 0.77 LCK (0.48) LCKNFE2L2PPARGPTGER4PTGER3
SCHEMBL8406052 0.77 LCK (0.48) LCKNFE2L2PPARGPTGER4PTGER3
SCHEMBL5960468 0.75 NFE2L2 (0.50) NFE2L2RELATRPA1MAOB
SCHEMBL31259890 0.75 NFE2L2 (0.50) NFE2L2RELATRPA1MAOB
SCHEMBL2835099 0.75 NFE2L2 (0.50) NFE2L2RELATRPA1MAOB

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-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
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