SCHEMBL5037538

SCHEMBL5037538

CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CC(C)CCCCCSCC(=O)[O-].CCCCCCCC[Sn+3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
BLM P54132 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CES1 P23141 5/20 0.42
FAAH O00519 4/20 0.42
PLA2G6 O60733 1/20 0.42
CA1 P00915 2/20 0.40
EPHX1 P07099 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
CA2 P00918 1/20 0.38
NFKB1 P19838 1/20 0.36
ACE2 Q9BYF1 1/20 0.34
FDPS P14324 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL3689084 0.96 CES2 (0.44) CES2GMNNTP53POLBMAPT
SCHEMBL5829517 0.89 CES2 (0.56) CES2GMNNTP53POLBMAPT
Tetradecylthioacetic Acid SCHEMBL5829992 0.89 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL5829513 0.89 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL5829179 0.89 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL10332227 0.86 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL11877688 0.86 CES2 (0.56) CES2GMNNTP53POLBMAPT
SCHEMBL17868326 0.86 CA1 (0.41) CES2GMNNTP53POLBMAPT
SCHEMBL11311323 0.85 CA1 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL11155573 0.85 CA1 (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041014-A N-OCTYL TIN ISOOCTYL MERCAPTOACETATES AND A DI-N-OCTYL TIN MALEATE OLIGOMER AS DISCOLORATION INHIBITORS M&T CHEMICALS INC. (US) 1977-08-09 US claimed
EP-1938280-A2 METHOD FOR EXTENDING LONG-TERM ELECTRICAL POWER CABLE PERFORMANCE Novinium, Inc. (US) 2008-07-02 EP disclosed
WO-2007027826-A2 METHOD FOR EXTENDING LONG-TERM ELECTRICAL POWER CABLE PERFORMANCE NOVINIUM, INC. (US) 2007-03-08 WO disclosed
US-4834992-A Non-toxic organotin stabilizers for vinyl chloride polymers M&T CHEMICALS, INC. (US) 1989-05-30 US disclosed
US-4379878-A Food-grade vinyl halide polymer compositions stabilized with monoalkyltin compounds M&T CHEMICALS INC. (US) 1983-04-12 US disclosed