SCHEMBL21597997

SCHEMBL21597997

O=C1NC(=O)C(CC(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.56
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
IDO1 P14902 4/20 0.48
TDO2 P48775 2/20 0.47
ADORA2B P29275 3/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CDC25B P30305 1/20 0.43

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
SCHEMBL10789721 0.83 IDO1 (0.66) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10763429 0.78 GLA (0.61) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL11203745 0.76 GLA (0.59) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL8811625 0.75 GLA (0.61) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL27047329 0.74 GLA (0.51) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL294341 0.74 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL12480441 0.74 HTT (0.53) ALDH1A1TDP1KDM4E
SCHEMBL11045816 0.73 GLA (0.50) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10766952 0.73 GLA (0.50) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL11957431 0.73 GLA (0.53) GLAALDH1A1MAPK1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3617251-A1 THERMOPLASTIC COMPOSITION COMPRISING A POLYSILOXANE BEARING DIAMINOTRIAZINE MOIETIES RHODIA OPERATIONS (FR) 2020-03-04 EP disclosed
EP-3611213-A1 COMPOSITION COMPRISING A POLYALKYLENE OXIDE-BASED POLYMER RHODIA OPERATIONS (FR) 2020-02-19 EP disclosed
EP-3611212-A1 COMPOSITION COMPRISING A POLYALKYLENE OXIDE-BASED POLYMER RHODIA OPERATIONS (FR) 2020-02-19 EP disclosed
WO-2019243620-A1 COMPOSITION COMPRISING A POLYALKYLENE OXIDE-BASED POLYMER RHODIA OPERATIONS (FR) 2019-12-26 WO disclosed
WO-2019243621-A1 COMPOSITION COMPRISING A POLYALKYLENE OXIDE-BASED POLYMER RHODIA OPERATIONS (FR) 2019-12-26 WO disclosed