SCHEMBL28438529

SCHEMBL28438529

CCOC(=O)NN(C(=O)OCC)c1ccc(O)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.50
MAOB P27338 2/20 0.45
MMP9 P14780 2/20 0.44
CYP1A2 P05177 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
FGFR1 P11362 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
TSHR P16473 3/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL10562771 0.90 ALDH1A1 (0.44) KDM4EPOLBALDH1A1GAASMN1; SMN2
SCHEMBL28438516 0.85 MEN1 (0.43) CYP1A2KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL28444191 0.84 MEN1 (0.42) HSD17B2CYP1A2KDM4EPOLBALDH1A1
SCHEMBL28440077 0.83 ALDH1A1 (0.41) CYP1A2HSP90AA1HSP90AB1KDM4EPOLB
SCHEMBL28443344 0.83 ALDH1A1 (0.41) CYP1A2KDM4EPOLBALDH1A1SMN1; SMN2
SCHEMBL28640296 0.82 KMT2A (0.50) KDM4EPOLBALDH1A1GAASMN1; SMN2
SCHEMBL28436017 0.80 ALDH1A1 (0.42) KDM4EPOLBALDH1A1GAASMN1; SMN2
SCHEMBL28438519 0.80 ALDH1A1 (0.39) CYP1A2KDM4EPOLBALDH1A1GAA
SCHEMBL28421212 0.79 KMT2A (0.50) KDM4EPOLBALDH1A1GAASMN1; SMN2
SCHEMBL10734200 0.78 RAB9A (0.52) CYP1A2POLBALDH1A1GAASMN1; SMN2

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-111499545-B Preparation method of p-amino substituted phenol compound 武汉英纳氏药业有限公司 2022-05-03 CN disclosed
CN-111499545-A Preparation method of p-amino substituted phenol compound 湖北工业大学 2020-08-07 CN disclosed