SCHEMBL5500478

SCHEMBL5500478

CCCCCCCCc1cc2ccccc2[c]c1CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.47
LIPG Q9Y5X9 1/20 0.42
KCNH2 Q12809 1/20 0.39
MAPT P10636 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
ALOX5 P09917 1/20 0.38
TYR P14679 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPR3 P46089 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL560035 0.98 TLR8 (0.48) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL158196 0.98 TLR8 (0.48) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL20694916 0.98 TLR8 (0.48) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL9065394 0.98 TLR8 (0.48) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL3403921 0.98 TLR8 (0.48) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL6698577 0.97 TLR8 (0.49) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL2200831 0.95 TLR8 (0.47) TLR8LIPGMAPTCYP3A4MEN1
SCHEMBL20694968 0.86 TLR8 (0.46) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL20694980 0.84 TLR8 (0.47) TLR8LIPGKCNH2MAPTCYP3A4
SCHEMBL6840627 0.83 TLR8 (0.39) TLR8LIPGKCNH2MAPTCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809726-A2 1,3-DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS CHEMTURA CORPORATION (US) 2007-07-25 EP disclosed
WO-2006047011-A2 1,3-DITHIOLANE-2-THIONE ADDITIVES FOR LUBRICANTS AND FUELS CHEMTURA CORPORATION (US) 2006-05-04 WO disclosed