SCHEMBL11129161

SCHEMBL11129161

O=C(Oc1ccccc1)ON(CC(F)(F)F)OC(=O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP19A1 P11511 1/20 0.38
MAOB P27338 1/20 0.38
CES1 P23141 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 2/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR1I2 O75469 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35

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
SCHEMBL11114778 0.83 L3MBTL1 (0.41) TDP1ATML3MBTL1CYP19A1MAPT
SCHEMBL11076756 0.76 ATM (0.50) TDP1HDAC1HDAC2ATML3MBTL1
SCHEMBL321643 0.74 FABP7 (0.46) TDP1HDAC1HDAC2ATML3MBTL1
SCHEMBL11116570 0.73 MTNR1A (0.41) TDP1ATML3MBTL1CYP19A1MAPT
SCHEMBL11126610 0.73 L3MBTL1 (0.47) TDP1ATML3MBTL1CYP19A1MAPT
SCHEMBL11431750 0.71 ZDHHC2 (0.45) MAPT
SCHEMBL9353461 0.71 TDP1 (0.54) TDP1ATML3MBTL1CYP19A1MAPT
SCHEMBL9241160 0.71 TDP1 (0.54) TDP1ATML3MBTL1CYP19A1MAPT
SCHEMBL18073 0.71 TDP1 (0.54) TDP1ATML3MBTL1CYP19A1MAPT
SCHEMBL9353455 0.71 TDP1 (0.54) TDP1ATML3MBTL1CYP19A1MAPT

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
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-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