SCHEMBL4394556

SCHEMBL4394556

CCCCCCCCCCSSn1cnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 2/20 0.49
▸ SLC9A1 P19634 4/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ TLR8 Q9NR97 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP4Z1 Q86W10 4/20 0.39
▸ TLR7 Q9NYK1 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4075893 1.00 ASAH1 (0.49) ASAH1SLC9A1PTGDR2TLR8TDP1
SCHEMBL16401979 0.82 TDP1 (0.46) ASAH1TDP1LMNATSHRHTT
SCHEMBL11140162 0.79 ASAH1 (0.47) ASAH1SLC9A1PTGDR2TLR8TDP1
SCHEMBL273486 0.76 TDP1 (0.52) TDP1LMNAHTTSMN1; SMN2
SCHEMBL8792548 0.75 TDP1 (0.46) ASAH1TDP1LMNATSHRHTT
SCHEMBL27637847 0.74 SLC9A1 (0.40) SLC9A1PTGDR2TLR8
Decane SCHEMBL9491454 0.73 ASAH1 (0.54) ASAH1SLC9A1TLR8TDP1CYP4Z1
SCHEMBL3805246 0.72 TDP1 (0.42) TDP1LMNAHTTSMN1; SMN2
SCHEMBL9060998 0.72 TDP1 (0.48) ASAH1TDP1LMNATSHRHTT
SCHEMBL9853294 0.71 TDP1 (0.68) SLC9A1TDP1LMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009074664-A1 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2009-06-18 — — WO disclosed
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