SCHEMBL30004042

SCHEMBL30004042

COc1cc(COC(=O)c2ccc(O)c(O)c2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
RAB9A P51151 4/20 0.54
NPC1 O15118 2/20 0.54
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
HTT P42858 2/20 0.47
HSD17B2 P37059 1/20 0.47
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL20874520 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL20874464 0.80 MAOB (0.51) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL30003717 0.80 MAOB (0.51) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL26661473 0.79 RAB9A (0.56) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11593080 0.78 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11593077 0.78 RAB9A (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4075702 0.78 SMN1; SMN2 (0.54) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL874473 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29588785 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14733954 0.77 NPC1 (0.53) ALDH1A1MEN1KMT2AMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884574-B Coating agent for forming metal oxide film and method for producing substrate having metal oxide film 东京应化工业株式会社 2022-10-14 CN disclosed