SCHEMBL28084239

SCHEMBL28084239

CCOC(=O)C(C)O.COCCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 1/20 0.33
HDAC3 O15379 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
Succinic Acid SCHEMBL4256347 0.86 GABRP (0.43) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL21733991 0.84 TSHR (0.41) ALDH1A1TDP1L3MBTL1TSHRCYP3A4
Hydrogen Peroxide SCHEMBL5367632 0.82 ALDH1A1 (0.48) ALDH1A1ALOX15LMNAHSD17B10MEN1
SCHEMBL15475416 0.81 MEN1 (0.41) ALDH1A1TDP1TSHRCYP3A4ALOX15
Propionic Acid SCHEMBL9398083 0.80 FFAR3 (0.48) ALDH1A1FFAR3ALOX15LMNAHSD17B10
SCHEMBL719289 0.80 GABRP (0.39) ALDH1A1GABRPGABRDGABRA1GABRB1
Bicarbonate SCHEMBL28391088 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15LMNAHSD17B10MEN1
SCHEMBL22598 0.79
SCHEMBL344175 0.79
SCHEMBL29615225 0.79

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-104159938-B Polymer, compositions containing this polymer and single coating type horizontal alignment film 日产化学工业株式会社 2016-08-17 CN disclosed