SCHEMBL11116570

SCHEMBL11116570

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
USP2 O75604 1/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.38
ELANE P08246 1/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL11128526 0.77 ATM (0.43) MTNR1AMTNR1BUSP2ATML3MBTL1
SCHEMBL11114778 0.77 L3MBTL1 (0.41) MTNR1AMTNR1BUSP2ATML3MBTL1
SCHEMBL11129799 0.75 NPY5R (0.46) MTNR1AMTNR1BATML3MBTL1TDP1
SCHEMBL27308957 0.75 ATM (0.49) ATML3MBTL1TDP1NPC1RAB9A
SCHEMBL2351326 0.75 PPARG (0.49) MTNR1AMTNR1BATML3MBTL1TDP1
SCHEMBL28036215 0.74 TDP1 (0.52) USP2ATML3MBTL1TDP1HPGD
SCHEMBL11431750 0.74 ZDHHC2 (0.45) NPC1RAB9AMAPTLMNA
SCHEMBL1790169 0.74 ALDH1A1 (0.55) MTNR1AMTNR1BATML3MBTL1HPGD
SCHEMBL11129161 0.73 TDP1 (0.40) ATML3MBTL1TDP1HPGDALDH1A1
SCHEMBL11129669 0.73 CYP1A2 (0.43) MTNR1AMTNR1BUSP2ATML3MBTL1

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 7 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-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