SCHEMBL4023086

SCHEMBL4023086

CCCCCCCCS(=O)(=O)[O-].CCCC[n+]1ccn(C)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL28143118 1.00 MEN1 (0.36) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL4266264 0.97
SCHEMBL7742084 0.91 KDM4E (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL1111608 0.91 HTT (0.34) KMT2ASMN1; SMN2
SCHEMBL1992347 0.91 PABPC1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL2293455 0.90 ABCB11 (0.41)
SCHEMBL4363080 0.90 PABPC1 (0.39) SMN1; SMN2
SCHEMBL28652452 0.90 KDM4E (0.37) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1111603 0.88 THRA (0.33) KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL28980889 0.88 KDM4E (0.37) MEN1HSP90AA1KMT2ASMN1; SMN2

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
US-7553406-B2 Process for removing polar impurities from hydrocarbons and mixtures of hydrocarbons MERCK PATENT GMBH (DE) 2009-06-30 US disclosed