SCHEMBL28149043

SCHEMBL28149043

COc1ccc2c(c1OC)NC(=O)C2=O.COc1ccc2c(c1OC)NC(=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CES1 P23141 3/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 1/20 0.45
DAO P14920 2/20 0.44
POLB P06746 1/20 0.42
ACHE P22303 1/20 0.41
NSD2 O96028 1/20 0.41
BCHE P06276 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HSD17B10 Q99714 1/20 0.39
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL30615182 1.00 L3MBTL1 (0.55) L3MBTL1RAB9ANPC1SMN1; SMN2CES1
SCHEMBL1097120 1.00 L3MBTL1 (0.55) L3MBTL1RAB9ANPC1SMN1; SMN2CES1
SCHEMBL29091599 0.85 L3MBTL1 (0.49) L3MBTL1RAB9ANPC1SMN1; SMN2CES1
SCHEMBL3083667 0.82 CES1 (0.59) L3MBTL1RAB9ANPC1SMN1; SMN2CES1
SCHEMBL4363644 0.82 DAO (0.53) L3MBTL1RAB9ASMN1; SMN2CES1ALDH1A1
SCHEMBL16108402 0.81 CES1 (0.45) L3MBTL1RAB9ASMN1; SMN2CES1ALDH1A1
SCHEMBL29091601 0.81 L3MBTL1 (0.54) L3MBTL1RAB9ANPC1SMN1; SMN2CES1
SCHEMBL30615113 0.81 L3MBTL1 (0.54) L3MBTL1RAB9ANPC1SMN1; SMN2CES1
SCHEMBL30498292 0.81 CES1 (0.45) L3MBTL1RAB9ASMN1; SMN2CES1ALDH1A1
SCHEMBL313120 0.81 CES1 (0.61) L3MBTL1RAB9ACES1ALDH1A1KDM4E

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-105218393-B Synthesize mycotoxin absorbant and preparation and the method using the synthesis mycotoxin absorbant 全技术公司 2017-10-24 CN disclosed
CN-104190378-B Synthesis mycotoxin absorbant and preparation and the method using the synthesis mycotoxin absorbant 全技术公司 2017-06-09 CN disclosed