SCHEMBL14518488

SCHEMBL14518488

O=C(O)COCOCOCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
CTH P32929 1/20 0.45
CBS P35520 1/20 0.45
THPO P40225 1/20 0.45
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.35
PTGS1 P23219 1/20 0.34
LMNA P02545 2/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
FFAR3 O14843 1/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32
PAM P19021 3/20 0.30
SLC22A6 Q4U2R8 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10013986 0.97 TSHR (0.47) TSHRCTHCBSTHPOTHRB
SCHEMBL1827088 0.87 TSHR (0.36) TSHRCTHCBSTHPOTHRB
SCHEMBL26620817 0.87 TSHR (0.36) TSHRCTHCBSTHPOTHRB
SCHEMBL803233 0.83 TSHR (0.33) TSHRCTHCBSTHPOTHRB
SCHEMBL26928 0.82
SCHEMBL6667392 0.81 EPHX2 (0.38) TSHRCTHCBSTHPOTHRB
SCHEMBL16652816 0.81 TSHR (0.43) TSHRCTHCBSTHPOTHRB
SCHEMBL16821232 0.79
SCHEMBL2164482 0.79
SCHEMBL11884627 0.79 TSHR (0.50) TSHRCTHCBSTHPOTHRB

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-7205373-B2 Enzyme catalyzed organosilicon esters and amides DOW CORNING CORPORATION (US) 2007-04-17 US disclosed
US-20070021578-A1 Enzyme catalyzed organosilicon esters and amides BRANDSTADT KURT F 2007-01-25 US disclosed