SCHEMBL1662446

SCHEMBL1662446

O=C(CNCCCCCC1CCSS1)CNC(=O)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
NAMPT P43490 1/20 0.41
ACHE P22303 6/20 0.40
BCHE P06276 5/20 0.40
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
TARDBP Q13148 2/20 0.39
ALOX5 P09917 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
NR1I2 O75469 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 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
SCHEMBL1662002 0.90 NAAA (0.52) NAAANAMPTACHEBCHEHSD17B10
SCHEMBL1661989 0.89 NAAA (0.48) NAAANAMPTACHEBCHEHSD17B10
SCHEMBL1661986 0.89 NAAA (0.48) NAAANAMPTACHEBCHEHSD17B10
SCHEMBL1662272 0.89 NAAA (0.51) NAAANAMPTACHEBCHEHSD17B10
SCHEMBL1657096 0.86 CA12 (0.47) ACHEBCHEHSD17B10ALDH1A1KMT2A
SCHEMBL1662173 0.85 NAAA (0.44) NAAANAMPTACHEBCHEHSD17B10
SCHEMBL1661999 0.85 NAAA (0.44) NAAANAMPTACHEBCHEHSD17B10
SCHEMBL1662010 0.85 NAAA (0.44) NAAANAMPTACHEBCHEHSD17B10
SCHEMBL1662009 0.85 NAAA (0.44) NAAANAMPTACHEBCHEHSD17B10
SCHEMBL1662262 0.84 NAAA (0.43) NAAANAMPTACHEBCHEHSD17B10

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