SCHEMBL17469817

SCHEMBL17469817

CCCCOC(=O)C(C)OS(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
ATM Q13315 1/20 0.42
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
HCAR2 Q8TDS4 1/20 0.38
NAAA Q02083 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
STS P08842 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL9295221 0.95 NAAA (0.44) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294047 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294350 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294123 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294643 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294983 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294698 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9295243 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294099 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAANPSR1
SCHEMBL9294443 0.91 NAAA (0.46) ALDH1A1TSHRHCAR2NAAANPSR1

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