SCHEMBL5014807

SCHEMBL5014807

CCOC(=O)CCCS(=O)(=O)O.[LiH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPA1 O75762 1/20 0.40
DGKA P23743 1/20 0.39

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
SCHEMBL14900199 0.98 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL13762657 0.92 CYP1A2 (0.53) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL1519341 0.90 CYP1A2 (0.52) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL1402725 0.90 CYP1A2 (0.52) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL1403494 0.89 CYP1A2 (0.50) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL11907952 0.85 CYP1A2 (0.48) CYP1A2NR1I2PGRADORA3PTGS2
Succinic Acid Diethyl Ester SCHEMBL21646151 0.85 DGKA (0.46) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL10643442 0.83 CYP1A2 (0.47) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL3590180 0.82 CYP1A2 (0.52) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL4022043 0.82 CYP1A2 (0.55) CYP1A2NR1I2PGRADORA3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9118062-B2 Anode and method of manufacturing the same, and battery and method of manufacturing the same SONY CORPORATION (JP) 2015-08-25 US disclosed
US-20080311472-A1 ANODE AND METHOD OF MANUFACTURING THE SAME, AND BATTERY AND METHOD OF MANUFACTURING THE SAME SONY CORPORATION (JP) 2008-12-18 US disclosed