SCHEMBL11114778

SCHEMBL11114778

CC(C)(C)CN(OC(=O)Oc1ccccc1)OC(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 2/20 0.41
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
MAPT P10636 4/20 0.38
ELANE P08246 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP19A1 P11511 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD11B1 P28845 1/20 0.37
HTT P42858 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
THRB P10828 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL11129108 0.87 ALDH1A1 (0.47) L3MBTL1TDP1MAPTALDH1A1MEN1
SCHEMBL11129161 0.83 TDP1 (0.40) L3MBTL1ATMTDP1MAPTALDH1A1
SCHEMBL11126610 0.80 L3MBTL1 (0.47) L3MBTL1ATMUSP2TDP1MAPT
SCHEMBL28036215 0.78 TDP1 (0.52) L3MBTL1ATMUSP2TDP1MAPT
SCHEMBL11116570 0.77 MTNR1A (0.41) L3MBTL1ATMUSP2TDP1MAPT
SCHEMBL10992834 0.76 L3MBTL1 (0.50) L3MBTL1ATMTDP1MAPTELANE
SCHEMBL11431750 0.74 ZDHHC2 (0.45) MAPTRAB9A
SCHEMBL15853317 0.74 L3MBTL1 (0.49) L3MBTL1ATMUSP2TDP1MAPT
Propane SCHEMBL3801023 0.72 MAPT (0.48) L3MBTL1ATMUSP2TDP1MAPT
SCHEMBL9647554 0.71 L3MBTL1 (0.46) L3MBTL1ATMTDP1MAPTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034750-B1 N-SUBSTITUTED IMIDODICARBOXYLIC ACID DIARYL ESTERS AND A PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-01-18 EP claimed
EP-0034750-A2 N-substituted imidodicarboxylic acid diaryl esters and a process for their preparation BAYER AG (DE) 1981-09-02 EP claimed
EP-0034751-B1 PROCESS FOR THE PREPARATION OF 1-AMINO-1,3,5-TRIAZINE-2,4 (1H,3H) DIONES BAYER AG (DE) 1984-11-21 EP disclosed
EP-0048376-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED DIARYL IMIDODICARBOXYLATES BAYER AG (DE) 1984-02-15 EP disclosed
EP-0034750-B1 N-SUBSTITUTED IMIDODICARBOXYLIC ACID DIARYL ESTERS AND A PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1984-01-18 EP disclosed
EP-0048377-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED DIARYL IMIDODICARBOXYLATES BAYER AG (DE) 1983-10-19 EP disclosed
EP-0048377-A1 Process for the preparation of N-substituted diaryl imidodicarboxylates BAYER AG (DE) 1982-03-31 EP disclosed
EP-0048376-A1 Process for the preparation of N-substituted diaryl imidodicarboxylates BAYER AG (DE) 1982-03-31 EP disclosed
EP-0034750-A2 N-substituted imidodicarboxylic acid diaryl esters and a process for their preparation BAYER AG (DE) 1981-09-02 EP disclosed
EP-0034751-A2 Process for the preparation of 1-amino-1,3,5-triazine-2,4 (1H,3H) diones BAYER AG (DE) 1981-09-02 EP disclosed