SCHEMBL9196352

SCHEMBL9196352

COc1cc(C)c(OC(=O)c2ccccc2)cc1NC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 2/20 0.62
AHR P35869 1/20 0.62
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 2/20 0.60
HSD17B10 Q99714 1/20 0.60
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
RECQL P46063 1/20 0.53
BLM P54132 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL825844 0.90 MEN1 (0.76) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL16231124 0.86 MEN1 (0.73) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL9192693 0.82 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL13788777 0.80 MEN1 (0.78) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL21771978 0.80 KMT2A (0.67) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL5475142 0.78 MEN1 (0.66) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL10647491 0.78 MEN1 (0.62) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL13788794 0.78 MEN1 (0.66) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL14178770 0.78 MEN1 (0.63) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL592866 0.78 MEN1 (0.74) MEN1KMT2AMAPTSMN1; SMN2MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410471-B1 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same KAO CORP (JP) 1995-05-17 EP disclosed
US-5104414-A 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same KAO CORPORATION (JP) 1992-04-14 US disclosed
US-5015260-A Hair dyes for reaction with developer KAO CORPORATION (JP) 1991-05-14 US disclosed
EP-0410471-A2 2-alkyl-4-methoxy-5-aminophenol or salt thereof, or 2-alkyl-4-methoxy-5-substituted aminophenol or salt thereof, and dyeing composition for keratin fibers comprising the same Kao Corporation (JP) 1991-01-30 EP disclosed