SCHEMBL28014698

SCHEMBL28014698

NCCCC(=O)OS(=O)(=O)CCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
LMNA P02545 4/20 0.39
BLM P54132 3/20 0.39
TSHR P16473 3/20 0.39
THRB P10828 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
HDAC3 O15379 1/20 0.39
GABBR2 O75899 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRR1 P24046 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRR2 P28476 1/20 0.39
SLC6A1 P30531 1/20 0.39
GABRA5 P31644 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
SCHEMBL4183149 0.87 LMNA (0.39) CYP1A2LMNABLMAPPSLC6A6
SCHEMBL30472794 0.86 LMNA (0.45) CYP1A2LMNABLMTSHRTHRB
SCHEMBL22717119 0.85 DGKA (0.44) CYP1A2LMNATSHRTHRBALDH1A1
SCHEMBL5393249 0.83 DGKA (0.47) LMNATSHRTHRBHDAC11ALDH1A1
SCHEMBL29606730 0.83 DGKA (0.43) CYP1A2LMNATSHRTHRBALDH1A1
SCHEMBL17085777 0.83 DGKA (0.47) LMNATSHRTHRBHDAC11ALDH1A1
SCHEMBL3634120 0.83 DGKA (0.47) LMNATSHRTHRBHDAC11ALDH1A1
SCHEMBL5156066 0.83 DGKA (0.47) LMNATSHRTHRBHDAC11ALDH1A1
SCHEMBL15874693 0.83 DGKA (0.47) LMNATSHRTHRBHDAC11ALDH1A1
SCHEMBL31051576 0.83 DGKA (0.47) LMNATSHRTHRBHDAC11ALDH1A1

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-104509919-A Functional nutrient beverage ZHANG ZILI 2015-04-15 CN disclosed