SCHEMBL4539621

SCHEMBL4539621

CCCCc1ccc2sc(S)nc2c1CCCC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.36
CTRC Q99895 1/20 0.33
TLR8 Q9NR97 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL22689594 0.81 NPC1 (0.36) TYRCTRCMAPTMEN1KMT2A
SCHEMBL9719205 0.80 MEN1 (0.37) TLR8MAPTMEN1ALOX5KMT2A
SCHEMBL10475866 0.78 PTGS2 (0.35) TYRCTRCTLR8PTGS2
SCHEMBL1771627 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL22981635 0.77 NPC1 (0.36) TYRTLR8MAPTMEN1TP53
SCHEMBL23457015 0.76 MAPT (0.36) TYRMAPTMEN1TP53CYP3A4
SCHEMBL22689600 0.76 MAPT (0.36) TYRMAPTMEN1TP53CYP3A4
SCHEMBL22689640 0.76 MAPT (0.36) TYRMAPTMEN1TP53CYP3A4
SCHEMBL23456997 0.76 MAPT (0.36) TYRMAPTMEN1TP53CYP3A4
SCHEMBL22689593 0.76 MAPT (0.36) TYRMAPTMEN1TP53CYP3A4

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
US-7485605-B2 Lubricant and fuel compositions containing 2-(S(N)-mercaptobenzothiazole)succinic and methylene succinate esters CROMPTON CORPORATION (US) 2009-02-03 US disclosed
US-20060089271-A1 Lubricant and fuel compositions containing 2-(S(N)-mercaptobenzothiazole)succinic and methylene succinate esters CHEMTURA CORPORATION 2006-04-27 US disclosed