SCHEMBL29508339

SCHEMBL29508339

O=C(O)C1CC(C(=O)O)C(C(=O)O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
FFAR1 O14842 1/20 0.37
EDNRA P25101 1/20 0.36
GRM2 Q14416 4/20 0.35
GRM3 Q14832 4/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM8 O00222 1/20 0.35
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
GRM7 Q14831 1/20 0.35
GRM4 Q14833 1/20 0.35
HSD11B1 P28845 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MCL1 Q07820 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
SCHEMBL28373219 1.00 ALDH1A1 (0.44) ALDH1A1AKR1C3AKR1C1FFAR1EDNRA
SCHEMBL432906 0.82 ALDH1A1 (0.48) ALDH1A1AKR1C3AKR1C1FFAR1EDNRA
SCHEMBL29110620 0.78 FFAR1 (0.38) ALDH1A1FFAR1GRM2GRM3MEN1
SCHEMBL10707231 0.76 ACP3 (0.38) ALDH1A1AKR1C3AKR1C1FFAR1EDNRA
SCHEMBL14828341 0.74 CYP1A2 (0.39) ALDH1A1FFAR1GRM2GRM3MEN1
SCHEMBL8370418 0.73 ALDH1A1 (0.48) ALDH1A1AKR1C3AKR1C1EDNRAMEN1
SCHEMBL15335817 0.73 NOTUM (0.43) ALDH1A1AKR1C3AKR1C1FFAR1EDNRA
SCHEMBL2470428 0.73 SLC6A2 (0.46) ALDH1A1AKR1C3AKR1C1EDNRACYP1A2
SCHEMBL5970111 0.73 SLC6A2 (0.46) ALDH1A1AKR1C3AKR1C1EDNRACYP1A2
SCHEMBL27481427 0.73 ALDH1A1 (0.42) ALDH1A1AKR1C3AKR1C1EDNRAGRM1

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
CN-114868076-A Radical generating film forming composition, radical generating film, and method for producing horizontal electric field liquid crystal cell 日产化学株式会社 2022-08-05 CN disclosed
CN-114846397-A Method for manufacturing patterned liquid crystal display element 日产化学株式会社 2022-08-02 CN disclosed
CN-114830024-A Liquid crystal alignment film, radical generating film, and method for manufacturing horizontal electric field liquid crystal cell 日产化学株式会社 2022-07-29 CN disclosed
CN-114174907-A Transverse electric field liquid crystal display element and method for manufacturing transverse electric field liquid crystal cell 日产化学株式会社 2022-03-11 CN disclosed