SCHEMBL28438516

SCHEMBL28438516

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 2/20 0.36
ESR1 P03372 4/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL28444191 0.88 MEN1 (0.42) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL28443344 0.86 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL28440077 0.86 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL28438529 0.85 HSD17B2 (0.50) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL28437102 0.84 ALDH1A1 (0.43) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL28436017 0.83 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL28438519 0.83 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL28421212 0.82 KMT2A (0.50) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL10734200 0.81 RAB9A (0.52) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL10562771 0.80 ALDH1A1 (0.44) MEN1ALDH1A1KMT2ASMN1; SMN2MAPT

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