SCHEMBL28028330

SCHEMBL28028330

CCOC(=O)N(CCc1ccccc1)[SH](=O)=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALOX5 P09917 4/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.44
LTB4R Q15722 2/20 0.44
LTB4R2 Q9NPC1 2/20 0.44
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 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
SCHEMBL28256002 0.86 TDP1 (0.41) ALDH1A1ALOX5MEN1NPC1RAB9A
SCHEMBL28255732 0.84 ALOX5 (0.44) L3MBTL1ALDH1A1LMNAALOX5MEN1
SCHEMBL28028797 0.83 TAAR1 (0.43) ALDH1A1ALOX5MEN1NPC1RAB9A
SCHEMBL5696627 0.81 SMN1; SMN2 (0.54) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL13034052 0.81 LTB4R (0.52) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL7600830 0.79 MEN1 (0.54) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL14191750 0.78 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL5987957 0.78 MEN1 (0.53) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL10597699 0.77 L3MBTL1 (0.48) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL4456605 0.77 SMN1; SMN2 (0.52) L3MBTL1ALDH1A1LMNAPOLBHSD17B10

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
CN-104969406-A Electrolyte solution for electrochemical device and electrochemical device WAKO PURE CHEM IND LTD 2015-10-07 CN disclosed