SCHEMBL1662009

SCHEMBL1662009

O=C(NCCOCCNCCCCC[C@H]1CCSS1)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
NAMPT P43490 1/20 0.41
BCHE P06276 7/20 0.41
ACHE P22303 5/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NLRP1 Q9C000 1/20 0.39
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1662010 1.00 NAAA (0.44) NAAANAMPTBCHEACHEMEN1
SCHEMBL1662262 0.99 NAAA (0.43) NAAANAMPTBCHEACHEMEN1
SCHEMBL1662002 0.92 NAAA (0.52) NAAANAMPTBCHEACHEMEN1
SCHEMBL1661989 0.91 NAAA (0.48) NAAANAMPTBCHEACHEMEN1
SCHEMBL1662272 0.91 NAAA (0.51) NAAANAMPTBCHEACHEMEN1
SCHEMBL1661986 0.91 NAAA (0.48) NAAANAMPTBCHEACHEMEN1
SCHEMBL12732043 0.88 BCHE (0.49) BCHEACHE
SCHEMBL1657935 0.88 BCHE (0.49) BCHEACHE
SCHEMBL1657932 0.88 BCHE (0.49) BCHEACHE
SCHEMBL1658499 0.87 BCHE (0.49) BCHEACHE

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