SCHEMBL6554628

SCHEMBL6554628

C=C(C)C(=O)OCC(C)CCCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
PTPN1 P18031 3/20 0.43
BLM P54132 1/20 0.43
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 3/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN2 P17706 1/20 0.31
CDC25B P30305 1/20 0.31

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
SCHEMBL23493920 0.89 TSHR (0.68) TSHRPTPN1THRBALDH1A1POLB
SCHEMBL28387209 0.89 TSHR (0.62) TSHRPTPN1THRBALDH1A1MEN1
SCHEMBL4526188 0.87 TSHR (0.69) TSHRTHRBALDH1A1ALOX15POLB
SCHEMBL1897951 0.86 TSHR (0.58) TSHRTHRBALDH1A1CYP3A4TDP1
SCHEMBL5941686 0.84 TSHR (0.52) TSHRPTPN1BLMLMNATHRB
SCHEMBL29187279 0.84 TSHR (0.56) TSHRTHRBALDH1A1CYP3A4POLB
SCHEMBL25220357 0.84 TSHR (0.52) TSHRPTPN1BLMLMNATHRB
SCHEMBL6457085 0.84 TSHR (0.56) TSHRTHRBALDH1A1
SCHEMBL10400352 0.84 TSHR (0.56) TSHRTHRBALDH1A1CYP3A4POLB
SCHEMBL2781460 0.84 TSHR (0.61) TSHRPTPN1BLMLMNATHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278724-B1 COMPOSITION OF POLYSULFIDES HAVING A REDUCED ODOR LEVEL LUBRIZOL CORP (US) 2004-12-22 EP disclosed
EP-1278724-A1 COMPOSITION OF POLYSULFIDES HAVING A REDUCED ODOR LEVEL The Lubrizol Corporation (US) 2003-01-29 EP disclosed
US-6362374-B1 HYDROCARBYL ACRYLATES AS ODOR INHIBITORS THE LUBRIZOL CORPORATION 2002-03-26 US disclosed
WO-2001083435-A1 COMPOSITION OF POLYSULFIDES HAVING A REDUCED ODOR LEVEL THE LUBRIZOL CORPORATION (US) 2001-11-08 WO disclosed