SCHEMBL14779079

SCHEMBL14779079

CCCCS(=O)(=O)OC(C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA2 P00918 4/20 0.34
FAAH O00519 2/20 0.32

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
SCHEMBL14777687 0.94 CA2 (0.41) TP53CA2FAAHCES1CA1
SCHEMBL14779696 0.92 CA2 (0.44) CA2FAAHCES1CA1CA9
SCHEMBL14780020 0.91 CA2 (0.39) TP53NPC1S1PR2S1PR4ALDH1A1
SCHEMBL14836831 0.89 CA1 (0.35) ALDH1A1CA2CA1CA9
SCHEMBL14780062 0.86 CA1 (0.33) CA2CA1CA9
SCHEMBL14778402 0.84 CA2 (0.44) TP53CA2FAAHCES1CA1
SCHEMBL14837240 0.84 CA1 (0.38) ALDH1A1CA2CA1CA9
SCHEMBL14778281 0.83 CA2 (0.47) CA2FAAHCES1CA1CA9
SCHEMBL575562 0.82 TP53 (0.38) TP53NPC1S1PR2S1PR4ALDH1A1
SCHEMBL17922766 0.82 ALDH1A1 (0.40) TP53NPC1S1PR2S1PR4ALDH1A1

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