SCHEMBL1661993

SCHEMBL1661993

O=C(NCCC(O)CCNCCCCCC1CCSS1)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
NAMPT P43490 1/20 0.41
BCHE P06276 7/20 0.40
ACHE P22303 7/20 0.40
HDAC7 Q8WUI4 1/20 0.39
ALOX5 P09917 4/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NLRP1 Q9C000 1/20 0.38

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
SCHEMBL1662002 0.91 NAAA (0.52) NAAANAMPTBCHEACHEHDAC7
SCHEMBL1661986 0.90 NAAA (0.48) NAAANAMPTBCHEACHEALOX5
SCHEMBL1661989 0.90 NAAA (0.48) NAAANAMPTBCHEACHEALOX5
SCHEMBL1662272 0.90 NAAA (0.51) NAAANAMPTBCHEACHEHDAC7
SCHEMBL1659053 0.89 CA12 (0.48) BCHEACHE
SCHEMBL1662009 0.85 NAAA (0.44) NAAANAMPTBCHEACHEALOX5
SCHEMBL1662010 0.85 NAAA (0.44) NAAANAMPTBCHEACHEALOX5
SCHEMBL1662173 0.85 NAAA (0.44) NAAANAMPTBCHEACHEALOX5
SCHEMBL1661999 0.85 NAAA (0.44) NAAANAMPTBCHEACHEALOX5
SCHEMBL1662262 0.85 NAAA (0.43) NAAANAMPTBCHEACHEALOX5

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-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed