SCHEMBL14955286

SCHEMBL14955286

O=S(=O)(CCS(=O)(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.63
CA9 Q16790 5/20 0.63
CA1 P00915 5/20 0.63
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.48
CA5A P35218 2/20 0.46
FAAH O00519 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
ELANE P08246 1/20 0.46
PRTN3 P24158 1/20 0.46
PRSS3 P35030 1/20 0.46
IDO1 P14902 1/20 0.44
AR P10275 1/20 0.43
AGXT P21549 1/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MGLL Q99685 1/20 0.42

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
SCHEMBL27930070 0.90 CA2 (0.57) CA2CA9CA1KMT2ATSHR
SCHEMBL2439083 0.89 CA2 (0.61) CA2CA9CA1KMT2ATSHR
SCHEMBL2382885 0.88 CA2 (0.55) CA2CA9CA1KMT2ATSHR
SCHEMBL27683548 0.88 CA2 (0.60) CA2CA9CA1KMT2ATSHR
SCHEMBL3978412 0.87 CA2 (0.59) CA2CA9CA1KMT2ATSHR
SCHEMBL14955045 0.86 CA2 (0.63) CA2CA9CA1KMT2ATSHR
SCHEMBL28732563 0.85 CA2 (0.52) CA2CA9CA1KMT2ATSHR
SCHEMBL778120 0.84 CA2 (0.61) CA2CA9CA1KMT2ATSHR
SCHEMBL15336513 0.83 CA2 (0.50) CA2CA9CA1KMT2ATSHR
SCHEMBL3339827 0.83 CA1 (0.50) CA2CA9CA1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2602856-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEM IND LTD (JP) 2017-02-22 EP disclosed
US-9257720-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-09 US disclosed
EP-2602856-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Wako Pure Chemical Industries, Ltd. (JP) 2013-06-12 EP disclosed
US-20130130128-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-23 US disclosed