SCHEMBL22558093

SCHEMBL22558093

CCCCCCCCCCOC(=O)OCC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
ESR1 P03372 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
FAAH O00519 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 3/20 0.42

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
SCHEMBL22558091 1.00 NAAA (0.50) NAAAZDHHC20ZDHHC2EPHX1TSHR
SCHEMBL22557961 1.00 NAAA (0.50) NAAAZDHHC20ZDHHC2EPHX1TSHR
SCHEMBL22557924 1.00 NAAA (0.50) NAAAZDHHC20ZDHHC2EPHX1TSHR
SCHEMBL22558099 1.00 NAAA (0.50) NAAAZDHHC20ZDHHC2EPHX1TSHR
SCHEMBL22558127 1.00 NAAA (0.50) NAAAZDHHC20ZDHHC2EPHX1TSHR
SCHEMBL22558077 1.00 NAAA (0.50) NAAAZDHHC20ZDHHC2EPHX1TSHR
SCHEMBL22557929 0.98 NAAA (0.47) NAAAZDHHC20ZDHHC2EPHX1TSHR
SCHEMBL22557958 0.92 ALDH1A1 (0.48) NAAAZDHHC20ZDHHC2EPHX1TSHR
SCHEMBL22558237 0.85 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL22558067 0.85 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52

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-20220209301-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE FRANCE (FR) 2022-06-30 US disclosed
EP-3956288-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE France (FR) 2022-02-23 EP disclosed
CN-113795963-A Carbonate solvents for non-aqueous electrolytes for metal and metal ion batteries 斯塞法国公司 2021-12-14 CN disclosed
WO-2020212872-A1 CARBONATE SOLVENTS FOR NON-AQUEOUS ELECTROLYTES FOR METAL AND METAL-ION BATTERIES SCE FRANCE (FR) 2020-10-22 WO disclosed