SCHEMBL28296157

SCHEMBL28296157

C=C(C)C(=O)OCC1OCC1CCCCCC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.49
SPHK1 Q9NYA1 7/20 0.39
SPHK2 Q9NRA0 6/20 0.39
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ENPP2 Q13822 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL28218178 0.94 ALDH1A1 (0.54) ALDH1A1TSHRSPHK1SPHK2
SCHEMBL28852988 0.90 TSHR (0.44) ALDH1A1TSHRSPHK1SPHK2ALOX5
SCHEMBL28120790 0.84 ALDH1A1 (0.46) ALDH1A1TSHRSPHK1SPHK2
SCHEMBL14688132 0.83 ALDH1A1 (0.60) ALDH1A1TSHR
SCHEMBL6929362 0.79 ALDH1A1 (0.73) ALDH1A1TSHRENPP2LPAR2
Hexane SCHEMBL28284072 0.78 ALDH1A1 (0.83) ALDH1A1TSHRENPP2LPAR2
SCHEMBL2568740 0.77 ALDH1A1 (0.60) ALDH1A1TSHR
SCHEMBL30977787 0.76 ALDH1A1 (0.47) ALDH1A1TSHRPOLB
SCHEMBL13517217 0.75 ALDH1A1 (0.71) ALDH1A1TSHRPOLB
SCHEMBL7530690 0.75 ALDH1A1 (0.71) ALDH1A1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109844586-A Curable resin composition for optical film, and method for producing same 日东电工株式会社 2019-06-04 CN disclosed