SCHEMBL8409471

SCHEMBL8409471

CC(C)(C)C(=O)Oc1cccc(C=O)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.60
TLR2 O60603 1/20 0.60
TLR1 Q15399 1/20 0.60
TLR6 Q9Y2C9 1/20 0.60
ELANE P08246 8/20 0.50
PRTN3 P24158 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SRC P12931 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL1199476 0.86 ELANE (0.61) ERN1TLR2TLR1TLR6ELANE
SCHEMBL3864807 0.83 ERN1 (0.68) ERN1TLR2TLR1TLR6PTGDR2
SCHEMBL24362729 0.83 CA1 (0.54) ERN1TLR2TLR1TLR6ELANE
SCHEMBL21579710 0.79 ERN1 (0.67) ERN1TLR2TLR1TLR6PTGDR2
SCHEMBL20306583 0.78 ELANE (0.54) ELANEALDH1A1HPGDKDM4ELMNA
SCHEMBL18826338 0.78 ELANE (0.54) ERN1TLR2TLR1TLR6ELANE
SCHEMBL15495907 0.77 ELANE (0.50) ELANELMNAMAPT
SCHEMBL27681606 0.77 ERN1 (0.60) ERN1TLR2TLR1TLR6PTGDR2
SCHEMBL929734 0.75 ERN1 (1.00) ERN1TLR2TLR1TLR6HTT
SCHEMBL30485148 0.75 ERN1 (1.00) ERN1TLR2TLR1TLR6HTT

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