SCHEMBL29028648

SCHEMBL29028648

CCC(Oc1ccccc1)C(=O)On1c(=O)c(=O)[nH]c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
GRIA1 P42261 2/20 0.43
GRIA2 P42262 2/20 0.43
GRIA3 P42263 2/20 0.43
GRIA4 P48058 2/20 0.43
ADORA3 P0DMS8 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL7779726 0.74 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4ADORA3
SCHEMBL10552330 0.70 ALDH1A1 (0.52) HSD17B10L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL16672960 0.68 TSHR (0.55) HSD17B10L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL10938219 0.68 TSHR (0.58) HSD17B10ADORA3L3MBTL1ALDH1A1TSHR
SCHEMBL767041 0.68 TDP1 (0.55) HSD17B10L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL27635948 0.67 ALDH1A1 (0.50) HSD17B10L3MBTL1TDP1ALDH1A1TSHR
SCHEMBL7246113 0.67 ALDH1A1 (0.47) HSD17B10ADORA3L3MBTL1TDP1ALDH1A1
SCHEMBL10361229 0.66 ALDH1A1 (0.59) HSD17B10ADORA3L3MBTL1ALDH1A1TSHR
SCHEMBL4651839 0.66 SMN1; SMN2 (0.64) ALDH1A1TSHR
SCHEMBL295888 0.66 SMN1; SMN2 (0.64) ALDH1A1TSHR

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
CN-115160238-B Quinoxaline phenoxyacetic acid ester compound, and preparation method and application thereof 湖南省农业生物技术研究所 2023-07-25 CN disclosed
CN-115160238-A Quinoxaline phenoxyacetic acid ester compound and preparation method and application thereof 湖南省农业生物技术研究所 2022-10-11 CN disclosed