SCHEMBL21034753

SCHEMBL21034753

CCOC(=O)C(=O)OC/C(F)=C\F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.41
GLO1 Q04760 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ALDH1A1 P00352 5/20 0.37
TRPA1 O75762 1/20 0.37
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22334451 0.82 NPSR1 (0.39) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL22334506 0.79 GLO1 (0.41) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL21034751 0.78
SCHEMBL23005510 0.77 ALDH1A1 (0.31) ALDH1A1HSD17B10TSHR
SCHEMBL21034115 0.76 CYP3A4 (0.35) MAPTALDH1A1HSD17B10TSHR
SCHEMBL22334460 0.76 NPSR1 (0.35) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL30494447 0.75 MGAM (0.55) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL22334446 0.74 NPSR1 (0.30) NPSR1GLO1
SCHEMBL21034109 0.74 ALDH1A1 (0.47) NPSR1GLO1MEN1KMT2AMAPT
SCHEMBL7262 0.74 ALDH1A1 (0.62) NPSR1GLO1MEN1KMT2AMAPT

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
WO-2019102782-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, AND MODULE ダイキン工業株式会社 2019-05-31 WO disclosed