SCHEMBL14780210

SCHEMBL14780210

CC(CCCCCCC(C)OS(C)(=O)=O)OS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
USP2 O75604 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
FAAH O00519 5/20 0.32
TP53 P04637 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GRIA1 P42261 3/20 0.30

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
SCHEMBL14778728 1.00 ALDH1A1 (0.48) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL14779634 0.97 ALDH1A1 (0.50) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL2756236 0.92 ALDH1A1 (0.50) ALDH1A1USP2TSHRKDM4ELMNA
SCHEMBL8843279 0.91 TP53 (0.44) ALDH1A1FAAHTP53CNR1CNR2
SCHEMBL14185392 0.91 TP53 (0.44) ALDH1A1FAAHTP53CNR1CNR2
SCHEMBL8843258 0.91 TP53 (0.44) ALDH1A1FAAHTP53CNR1CNR2
SCHEMBL8843220 0.91 TP53 (0.44) ALDH1A1FAAHTP53CNR1CNR2
SCHEMBL8632043 0.91 TP53 (0.44) ALDH1A1FAAHTP53CNR1CNR2
SCHEMBL22263512 0.91 TP53 (0.44) ALDH1A1FAAHTP53CNR1CNR2
SCHEMBL1033067 0.91 TP53 (0.44) ALDH1A1FAAHTP53CNR1CNR2

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