SCHEMBL17469883

SCHEMBL17469883

C#CCCCCOS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.43
CA9 Q16790 9/20 0.43
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 8/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 2/20 0.34
CA3 P07451 2/20 0.34

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
SCHEMBL29019623 0.98 FNTA (0.42) CA2CA9FNTAFNTBMAPT
SCHEMBL16160754 0.93 CA2 (0.45) CA2CA9FNTAFNTBMAPT
SCHEMBL312641 0.84
SCHEMBL3640927 0.81 CA2 (0.50) CA2CA9FNTAFNTBCA1
SCHEMBL1142936 0.78 KDM4E (0.65) CA2CA9MAPTCYP1A2CYP2D6
SCHEMBL721222 0.78 FNTA (0.53) CA2CA9FNTAFNTBCA1
SCHEMBL27576132 0.78 FNTA (0.53) CA2CA9FNTAFNTBCA1
SCHEMBL5788200 0.78 FNTA (0.53) CA2CA9FNTAFNTBCA1
SCHEMBL17456416 0.78 FNTA (0.48) CA2CA9FNTAFNTBCA1
SCHEMBL1712192 0.78 FNTA (0.53) CA2CA9FNTAFNTBCA1

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