SCHEMBL3945856

SCHEMBL3945856

CCCC[n+]1cc[nH]c1C.COCCCOCCCS(=O)(=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL3982968 0.85 KDM4E (0.41) KDM4EALDH1A1RXFP1
SCHEMBL28771877 0.83 KDM4E (0.38) KDM4EALDH1A1RXFP1
SCHEMBL18879396 0.80 ACHE (0.32) KDM4EALDH1A1RXFP1
Sulfuric Acid SCHEMBL21331906 0.80 KDM4E (0.33) KDM4EALDH1A1RXFP1
SCHEMBL18879397 0.79 KDM4E (0.32) KDM4EALDH1A1RXFP1
Phosphoric Acid SCHEMBL14164747 0.76 GGPS1 (0.31)
SCHEMBL17713599 0.75 RECQL (0.35)
Trifluoromethanesulfonic Acid SCHEMBL2396296 0.75 KCNH2 (0.42) KDM4EALDH1A1RXFP1
SCHEMBL18173836 0.75 RECQL (0.53)
SCHEMBL329178 0.74 HTT (0.35) KDM4E

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-2051788-A1 EXTRACTION PROCESS USING AN IONIC LIQUID Invista Technologies S.à.r.l. (CH) 2009-04-29 EP claimed
WO-2008022233-A1 EXTRACTION PROCESS USING AN IONIC LIQUID INVISTA TECHNOLOGIES S.A.R.L. (CH) 2008-02-21 WO claimed