SCHEMBL3036379

SCHEMBL3036379

CCCCOS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
KMT2A Q03164 1/20 0.41
KIF11 P52732 2/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
PTGS1 P23219 1/20 0.40
ENPP3 O14638 2/20 0.40
ENPP2 Q13822 2/20 0.40
ENPP1 P22413 1/20 0.40
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL28366767 0.94 PTGS2 (0.48) PTGS2CA2CA1CA9TSHR
SCHEMBL8394817 0.85 MITF (0.47) CA2CA1CA9TSHRCA12
SCHEMBL3026425 0.83 PTGS2 (0.48) PTGS2CA2CA1CA9KMT2A
SCHEMBL28986357 0.83 CA2 (0.42) PTGS2CA2CA1CA9TSHR
SCHEMBL27670053 0.81 CA2 (0.46) PTGS2CA2CA1CA9TSHR
SCHEMBL15152533 0.81 PTGS2 (0.48) PTGS2CA2CA1CA9CA12
SCHEMBL8927880 0.80 CA1 (0.47) CA2CA1CA9TSHRCA12
SCHEMBL187914 0.80 CA1 (0.47) CA2CA1CA9TSHRCA12
SCHEMBL8397850 0.79 RECQL (0.46) CA2CA1CA9TSHRCA12
SCHEMBL27861709 0.79 RECQL (0.46) CA2CA1CA9TSHRCA12

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
US-8591757-B2 Electrolyte composition and ionic liquid KANEKA CORPORATION (JP) 2013-11-26 US disclosed
US-20100213402-A1 ELECTROLYTE COMPOSITION AND IONIC LIQUID KANEKA CORPORATION (JP) 2010-08-26 US disclosed