SCHEMBL4644169

SCHEMBL4644169

CCCCN(CCCC)CCCC.CCS(=O)(=O)O

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
KDM5A P29375 4/20 0.41
NPSR1 Q6W5P4 1/20 0.39
PHF8 Q9UPP1 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
TP53 P04637 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 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
SCHEMBL4021742 0.95 KDM5A (0.43) CA1CA12CA9KDM5ANPSR1
Sulfuric Acid SCHEMBL27883459 0.92 CA1 (0.46) CA1CA12CA9KDM5ANPSR1
Sulfuric Acid SCHEMBL2148402 0.92 CA1 (0.46) CA1CA12CA9KDM5ANPSR1
Sulfuric Acid SCHEMBL5874269 0.92 CA1 (0.46) CA1CA12CA9KDM5ANPSR1
SCHEMBL27883468 0.90 KDM5A (0.46) CA1CA12CA9KDM5ANPSR1
SCHEMBL13359386 0.88 CA12 (0.40) CA1CA12CA9KDM5ANPSR1
SCHEMBL7211715 0.88 APP (0.41) CA1CA12CA9KDM5ANPSR1
SCHEMBL14750206 0.88 APP (0.41) CA1CA12CA9KDM5ANPSR1
SCHEMBL29774219 0.88 APP (0.41) CA1CA12CA9KDM5ANPSR1
SCHEMBL18049426 0.88 CA12 (0.40) CA1CA12CA9KDM5ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442001-B1 METHOD FOR ELIMINATING POLARIZABLE IMPURITIES FROM HYDROCARBONS AND HYDROCARBON MIXTURES MERCK PATENT GMBH (DE) 2008-08-13 EP disclosed
EP-1442001-A2 METHOD FOR ELIMINATING POLARIZABLE IMPURITIES FROM HYDROCARBONS AND HYDROCARBON MIXTURES Solvent Innovation GmbH (DE) 2004-08-04 EP disclosed
WO-2003037835-A2 METHOD FOR ELIMINATING POLARIZABLE IMPURITIES FROM HYDROCARBONS WITH IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2003-05-08 WO disclosed