Tetradecylthioacetic Acid

Tetradecylthioacetic Acid

SCHEMBL5829992

CCCCCCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCCCCCSCC(=O)[O-].CCCCCCCCCCCCCCSCC(=O)[O-].CCCCCCCC[Sn+3]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.56
GMNN O75496 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56
BLM P54132 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CES1 P23141 8/20 0.50
FAAH O00519 4/20 0.50
PLA2G6 O60733 1/20 0.50
EPHX1 P07099 1/20 0.40
CA2 P00918 1/20 0.38
FABP3 P05413 2/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL5829179 1.00 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL5829513 1.00 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL5829517 1.00 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL10332227 0.96 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL11877688 0.96 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL11152044 0.91 CES2 (0.62) CES2GMNNTP53POLBMAPT
SCHEMBL5037538 0.89 CES2 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL11878715 0.89 CES1 (0.47) CES2GMNNTP53POLBMAPT
SCHEMBL7110184 0.89 CES2 (0.64) CES2GMNNTP53POLBMAPT
SCHEMBL10625952 0.89 CES2 (0.64) CES2GMNNTP53POLBMAPT

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
US-7041265-B2 Alkaline earth metal-basic silicate particle MIZUSAWA INDUSTRIAL CHEMICALS (JP) 2006-05-09 US disclosed
US-20040147660-A1 Alkaline earth metal-basic silicate particle MIZUSAWA INDUSTRIAL CHEMICALS (JP) 2004-07-29 US disclosed