SCHEMBL10697699

SCHEMBL10697699

C=C(C)C(=O)OC(C)(COOCCCCCC)OC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
CES2 O00748 2/20 0.34
NAAA Q02083 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
RAD52 P43351 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
EPHX1 P07099 1/20 0.30
THRB P10828 1/20 0.30
PLA2G2C Q5R387 1/20 0.30
PLA2G2A P14555 1/20 0.30
TP53 P04637 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
SCHEMBL10698712 0.99 TSHR (0.46) TSHRCES2THRB
SCHEMBL8762576 0.77 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL7691705 0.77 LMNA (0.31) TSHRLMNA
SCHEMBL7691605 0.76
SCHEMBL9723227 0.75
SCHEMBL1788550 0.75 TSHR (0.53) TSHRCES2
SCHEMBL7539675 0.75 ALDH1A1 (0.34) TSHRALDH1A1THRB
SCHEMBL21052148 0.73 TSHR (0.45) TSHRCES2THRB
SCHEMBL9063424 0.73 TSHR (0.50) TSHRCES2ALDH1A1THRB
SCHEMBL1753657 0.71 TSHR (0.67) TSHRCES2NAAAHCAR2RAD52

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
EP-0289933-A2 Graft polymerization precurser and method manufacturing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-11-09 EP disclosed
EP-0277608-A2 Graft polymerization preformer and method of manufacturing the same NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1988-08-10 EP disclosed