SCHEMBL7160482

SCHEMBL7160482

CCCCCCCCCCCC(N)(S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.45
FDPS P14324 2/20 0.45
CA2 P00918 11/20 0.39
CA1 P00915 8/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
GGPS1 O95749 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL7553793 1.00 SMPD1 (0.45) SMPD1FDPSCA2CA1CA9
SCHEMBL5573620 0.98 FDPS (0.43) SMPD1FDPSCA2CA1CA9
SCHEMBL4795795 0.82 FDPS (0.38) FDPSCA2CA1CA9CA12
SCHEMBL17545128 0.80 FDPS (0.37) FDPSCA1
SCHEMBL5586242 0.77 EPHX1 (0.44) SMPD1FDPSFAAH
SCHEMBL5586211 0.77 EPHX1 (0.44) SMPD1FDPSFAAH
SCHEMBL14964599 0.76 FDPS (0.48) SMPD1FDPSCA2CA1GGPS1
SCHEMBL10968156 0.76 FDPS (0.48) SMPD1FDPSCA2CA1GGPS1
SCHEMBL23542126 0.74 CA1 (0.40) FDPSCA2CA1CA9CA12
SCHEMBL22722136 0.74 CA1 (0.40) FDPSCA2CA1CA9CA12

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-1328518-A1 IMIDAZOLIUM SALTS AND THE USE OF THESE IONIC LIQUIDS AS A SOLVENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-07-23 EP disclosed
WO-2002034722-A1 IMIDAZOLIUM SALTS AND THEIR USE OF THESE IONIC LIQUIDS AS A SOLVENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2002-05-02 WO disclosed