SCHEMBL28061698

SCHEMBL28061698

CC(C)(C)OC(=O)COC(=O)c1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
KDM4E B2RXH2 8/20 0.53
TSHR P16473 3/20 0.53
GLA P06280 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 2/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 4/20 0.51
GAA P10253 1/20 0.51
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.48
AGTR1 P30556 2/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL2691863 0.83 MAPK1 (0.53) L3MBTL1KDM4ETSHRRAB9ALMNA
SCHEMBL1856870 0.82 MAPK1 (0.66) L3MBTL1KDM4ETSHRRAB9ALMNA
SCHEMBL1871973 0.81 HSD17B10 (0.53) L3MBTL1KDM4ETSHRGLARAB9A
SCHEMBL3197513 0.78 RAB9A (0.51) L3MBTL1KDM4ETSHRRAB9ALMNA
SCHEMBL25839509 0.78 L3MBTL1 (0.62) L3MBTL1KDM4ETSHRGLARAB9A
SCHEMBL17407599 0.77 KMT2A (0.48) L3MBTL1KDM4ETSHRRAB9ALMNA
SCHEMBL5176902 0.77 PLOD2 (0.53) L3MBTL1KDM4ELMNAADRB2ADRB1
SCHEMBL14081911 0.76 ADRB2 (0.55) L3MBTL1KDM4ETSHRGLARAB9A
SCHEMBL12157882 0.75 PLOD2 (0.44) L3MBTL1KDM4ELMNAKMT2AMEN1
SCHEMBL12398855 0.75 KMT2A (0.46) L3MBTL1TSHRKMT2AMEN1GAA

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
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN claimed
CN-103124733-B Herbicidal isoxazolo [5,4-b ] pyridines BASF SE (DE) 2016-03-30 CN claimed
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN disclosed
CN-103124733-B Herbicidal isoxazolo [5,4-b ] pyridines BASF SE (DE) 2016-03-30 CN disclosed