SCHEMBL29803501

SCHEMBL29803501

CCOC(=O)C1Cc2cc(O)c(O)cc2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
FYN P06241 1/20 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
SCHEMBL22462285 1.00 KDM4E (0.43) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL10909269 0.84 GAA (0.40) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL30132930 0.83 EP300 (0.41) ALDH1A1KMT2AGAAMAPTEP300
SCHEMBL10307911 0.83 EP300 (0.41) ALDH1A1KMT2AGAAMAPTEP300
SCHEMBL10906291 0.82 KDM4E (0.53) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL10256197 0.82 MEN1 (0.41) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL14407206 0.81 ALDH1A1 (0.42) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL11956678 0.80 TNF (0.41) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL3256606 0.80 LMNA (0.42) KDM4EALDH1A1KMT2AHSD17B10HPGD
SCHEMBL862757 0.80 MEN1 (0.49) KDM4EALDH1A1KMT2AHSD17B10HPGD

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-114828817-A Method for dyeing hair 花王株式会社 2022-07-29 CN disclosed