SCHEMBL29174339

SCHEMBL29174339

CC(=O)OCCOc1ncccc1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
HTT P42858 1/20 0.40
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL566085 0.79 KDM4E (0.44) MEN1CYP1A2CYP3A4KMT2AL3MBTL1
SCHEMBL12754891 0.78 KDM4E (0.45) GRM4MEN1KMT2AL3MBTL1HTT
SCHEMBL28806916 0.78 KDM4E (0.44) CYP3A4L3MBTL1HTTCHRM1TDP1
SCHEMBL7581695 0.76 PPARG (0.45) GRM4KMT2AL3MBTL1HTTTDP1
SCHEMBL27560496 0.76 HTT (0.44) L3MBTL1HTTTDP1ALDH1A1
SCHEMBL323831 0.75 ALDH1A1 (0.48) GRM4MEN1KMT2AL3MBTL1HTT
SCHEMBL14804204 0.73 TSHR (0.44) MEN1CYP1A2CYP3A4KMT2AL3MBTL1
SCHEMBL4982157 0.73 CHRM2 (0.61) MEN1CYP1A2CYP3A4KMT2AL3MBTL1
SCHEMBL28311734 0.73 KDM4E (0.49) MEN1CYP3A4KMT2ACHRM2ALDH1A1
SCHEMBL239263 0.73 CHRNB2 (0.50) GRM4L3MBTL1HTTCHRM2ALDH1A1

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-117751102-A Herbicidal phenyluracils 巴斯夫欧洲公司 2024-03-22 CN disclosed