SCHEMBL17469832

SCHEMBL17469832

N#CCCCOS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
NLRP3 Q96P20 1/20 0.34
TSHR P16473 2/20 0.33
CA1 P00915 7/20 0.32
CA2 P00918 7/20 0.32
CA9 Q16790 7/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
CA12 O43570 2/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA7 P43166 2/20 0.31
CA14 Q9ULX7 2/20 0.31

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
SCHEMBL17469713 0.86
SCHEMBL9861779 0.84 ALDH1A1 (0.35) NLRP3TSHRCA1CA2CA9
SCHEMBL17456512 0.84 NLRP3 (0.36) FNTAFNTBNLRP3CA2CA9
Phosphine SCHEMBL28669663 0.84 NLRP3 (0.36) FNTAFNTBNLRP3CA2CA9
SCHEMBL9861342 0.78 CA1 (0.34) NLRP3TSHRCA1CA2CA9
SCHEMBL9500520 0.77 TSHR (0.61) NLRP3TSHRCA1CA2CA9
SCHEMBL16160754 0.77 CA2 (0.45) FNTAFNTBTSHRCA1CA2
SCHEMBL3640927 0.77 CA2 (0.50) FNTAFNTBTSHRCA1CA2
SCHEMBL923333 0.77 FNTA (0.45) FNTAFNTBTSHRCA1CA2
SCHEMBL9861358 0.77 CA1 (0.37) NLRP3TSHRCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160027592-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD. (JP) 2016-01-28 US disclosed