SCHEMBL3193087

SCHEMBL3193087

O=C(O)COC1=CC=Cc2ccccc2N1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
GLA P06280 1/20 0.37
PTPN7 P35236 2/20 0.36
FFAR1 O14842 1/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
MEN1 O00255 2/20 0.36
PTPN12 Q05209 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.35
CD69 Q07108 2/20 0.34

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
SCHEMBL9164081 0.79 MAPT (0.41) MAPTGAASMN1; SMN2L3MBTL1TDP1
SCHEMBL28658376 0.76 MAPT (0.41) MAPTGAASMN1; SMN2KMT2AMEN1
SCHEMBL27552412 0.75 MAPT (0.40) MAPTGAASMN1; SMN2POLBKDM4E
SCHEMBL10880606 0.75 GAA (0.40) MAPTGAAKMT2AALDH1A1MEN1
SCHEMBL4714931 0.74 MAPT (0.42) ALOX15MAPTGAASMN1; SMN2GLA
SCHEMBL6098708 0.73 MAPT (0.48) MAPTGAASMN1; SMN2L3MBTL1KMT2A
SCHEMBL28592964 0.72 MAPT (0.35) MAPTGAASMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL28604267 0.72 GAA (0.44) MAPTGAA
SCHEMBL8330072 0.71 MAPT (0.47) ALOX15MAPTGAASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8332139 0.70 MAPT (0.45) ALOX15MAPTGAASMN1; SMN2KMT2A

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
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
CN-101479008-B PPAR-delta agonist benzazepine-oxyacetic acid derivatives for raising HDL-C, lowering LDL-C and lowering cholesterol JANSSEN PHARMACEUTICA NV 2013-07-17 CN disclosed
US-7678786-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
CN-101479008-A Benza  -oxyacetic acid derivatives as PPAR-delta agonists for raising HDL-C, lowering LDL-C and lowering cholesterol JANSSEN PHARMACEUTICA NV (BE) 2009-07-08 CN disclosed