SCHEMBL6536010

SCHEMBL6536010

CCCCc1cccc2[nH]nnc12.CCc1ccc2[nH]nnc2c1CC.CCc1cccc2[nH]nnc12

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.32
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HTR1A P08908 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL1002953 0.87 LIPG (0.34) TLR8PTGS2
SCHEMBL30031381 0.87 LIPG (0.34) TLR8PTGS2
SCHEMBL2346311 0.85 LIPG (0.33) TLR8PTGS2
Bicarbonate SCHEMBL29043591 0.83 BID (0.40) TLR8KDM4EALDH1A1HPGDHSD17B10
SCHEMBL299944 0.82 LIPG (0.40) TLR8PTGS2
SCHEMBL29466095 0.82 LIPG (0.40) TLR8PTGS2
SCHEMBL284635 0.82 HTR1A (0.30) HTR1ATAAR1
Acetic Acid SCHEMBL28597513 0.82 BID (0.40) TLR8KDM4EHSD17B10
SCHEMBL460020 0.81 LIPG (0.42) TLR8PTGS2
SCHEMBL8633987 0.81 LIPG (0.42) TLR8PTGS2

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-1307534-A4 METHOD OF CLEANING A METAL SURFACE BETZDEARBORN INC (US) 2004-08-11 EP disclosed
EP-1307534-A1 METHOD OF CLEANING A METAL SURFACE BetzDearborn Inc (US) 2003-05-07 EP disclosed
WO-2002010326-A1 METHOD OF CLEANING A METAL SURFACE BETZDEARBORN INC. (US) 2002-02-07 WO disclosed