SCHEMBL15438420

SCHEMBL15438420

C#CCCCCOP(=O)(OCCCCC#C)C(C#CC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15438490 0.96 CYP1A2 (0.32) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15438326 0.90 HMGCR (0.33)
SCHEMBL15438167 0.82 CYP3A4 (0.41) ALDH1A1MEN1CYP3A4KMT2A
SCHEMBL15438630 0.80 ACHE (0.35)
SCHEMBL15438508 0.79 LPAR3 (0.46) MAPTALDH1A1HPGDUSP2CYP3A4
SCHEMBL15438099 0.79 MEN1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL15438214 0.77 LPAR3 (0.41) MAPTALDH1A1
SCHEMBL15438177 0.76 CYP1A2 (0.34) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15438922 0.75 POLB (0.39) MAPTCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL15438972 0.74 LPAR2 (0.33)

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
EP-2698859-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTRICITY-STORAGE DEVICE USING THE SAME UBE INDUSTRIES (JP) 2016-07-27 EP disclosed
US-9384906-B2 Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES, LTD. (JP) 2016-07-05 US disclosed
EP-2698859-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME Ube Industries, Ltd. (JP) 2014-02-19 EP disclosed
US-20140030610-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-01-30 US disclosed