SCHEMBL8409598

SCHEMBL8409598

CCCC/C=C/c1cccc(C=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IAPP P10997 4/20 0.47
ERN1 O75460 4/20 0.46
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
PDE5A O76074 1/20 0.43
OPRM1 P35372 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
BID P55957 3/20 0.39
BCL2L1 Q07817 3/20 0.39
MCL1 Q07820 3/20 0.39
BAK1 Q16611 3/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL8409600 1.00 IAPP (0.47) IAPPERN1TLR2TLR1TLR6
SCHEMBL5440713 0.85 CYSLTR2 (0.48) IAPPCYSLTR2CYSLTR1BIDBCL2L1
SCHEMBL17666841 0.82 PTGER1 (0.48) IAPPPDE5ACYSLTR2CYSLTR1BID
SCHEMBL8406483 0.81 TRPA1 (0.46) IAPPPDE5ACYSLTR2CYSLTR1
SCHEMBL5431024 0.81 IAPP (0.46) IAPPERN1PDE5ACYSLTR2CYSLTR1
SCHEMBL300775 0.80 IAPP (0.47) IAPPPDE5ACYSLTR2CYSLTR1BID
SCHEMBL29595059 0.80 IAPP (0.47) IAPPPDE5ACYSLTR2CYSLTR1BID
SCHEMBL31402641 0.80 IAPP (0.47) IAPPPDE5ACYSLTR2CYSLTR1BID
SCHEMBL235535 0.80 IAPP (0.47) IAPPPDE5ACYSLTR2CYSLTR1BID
SCHEMBL235533 0.80 IAPP (0.47) IAPPPDE5ACYSLTR2CYSLTR1BID

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