SCHEMBL14780333

SCHEMBL14780333

CC(C)C(OS(=O)(=O)c1ccccc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
PARL Q9H300 1/20 0.40
PSIP1 O75475 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAMTS4 O75173 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL14779687 0.92 HTR6 (0.38) HTR6TDP1PARLPSIP1ALDH1A1
SCHEMBL14780076 0.88 HTR6 (0.41) HTR6TDP1PARLPSIP1ALDH1A1
SCHEMBL14779395 0.85 HTR6 (0.42) HTR6TDP1PARLPSIP1ALDH1A1
SCHEMBL14778409 0.85 HTR6 (0.46) HTR6TDP1PARLPSIP1ALDH1A1
SCHEMBL16045505 0.83 ALDH1A1 (0.35) HTR6TDP1PARLPSIP1ALDH1A1
SCHEMBL780154 0.83 HTR6 (0.44) HTR6TDP1PARLPSIP1ALDH1A1
SCHEMBL14779220 0.82 GAA (0.46) TDP1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL14780300 0.81 HTR6 (0.42) HTR6TDP1PARLPSIP1ALDH1A1
Lithium SCHEMBL31518227 0.81 HTR6 (0.42) HTR6TDP1PARLPSIP1ALDH1A1
SCHEMBL1147676 0.81 HTR6 (0.42) HTR6TDP1PARLPSIP1ALDH1A1

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
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed