SCHEMBL22334451

SCHEMBL22334451

CC/C=C(\F)COC(=O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
GLO1 Q04760 1/20 0.39
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL22334446 0.94 NPSR1 (0.30) NPSR1GLO1
SCHEMBL22334459 0.86
SCHEMBL22334460 0.82 NPSR1 (0.35) NPSR1GLO1MAPTALDH1A1CYP2D6
SCHEMBL21034753 0.82 NPSR1 (0.41) NPSR1GLO1MAPTALDH1A1CYP2D6
SCHEMBL22334506 0.77 GLO1 (0.41) NPSR1GLO1MAPTALDH1A1CYP2D6
SCHEMBL27499186 0.77 NPSR1 (0.43) NPSR1GLO1MAPTALDH1A1CYP2D6
SCHEMBL22334462 0.76 NPSR1 (0.36) NPSR1GLO1MAPTALDH1A1CYP2D6
SCHEMBL21034109 0.72 ALDH1A1 (0.47) NPSR1GLO1MAPTALDH1A1MEN1
SCHEMBL1331989 0.72 ALDH1A1 (0.62) NPSR1GLO1MAPTALDH1A1CYP2D6
SCHEMBL7262 0.72 ALDH1A1 (0.62) NPSR1GLO1MAPTALDH1A1CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694041-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE Daikin Industries, Ltd. (JP) 2020-08-12 EP disclosed