SCHEMBL9751996

SCHEMBL9751996

NC(=O)C1Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.53
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
ATM Q13315 1/20 0.42
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PARP1 P09874 3/20 0.38
SIRT1 Q96EB6 3/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AOC2 O75106 2/20 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
SCHEMBL442707 0.84 ATM (0.50) NISCHATMSIRT1POLBCASP6
SCHEMBL9327125 0.83 POLB (0.56) NISCHMAOAMAOBHPGDTSHR
SCHEMBL9752834 0.83 NISCH (0.54) NISCHMAOAMAOBHPGDTSHR
SCHEMBL5477951 0.82 NISCH (0.73) NISCHATMHPGDTSHRPARP1
SCHEMBL9751988 0.81 MAOA (0.47) NISCHMAOAMAOBHPGDTSHR
Hydrochloric Acid SCHEMBL9751989 0.81 POLB (0.55) NISCHMAOAMAOBHPGDTSHR
SCHEMBL9752005 0.81 MAOA (0.42) NISCHMAOAMAOBATMHPGD
Dimethylamine SCHEMBL9752837 0.81 POLB (0.50) NISCHMAOAMAOBHPGDTSHR
SCHEMBL9752721 0.80 MAOA (0.45) NISCHMAOAMAOBHPGDTSHR
Potassium Ion SCHEMBL9752861 0.80 MAOA (0.45) NISCHMAOAMAOBHPGDTSHR

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-0439607-A4 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES 1991-12-04 EP disclosed
EP-0439607-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES ISK BIOSCIENCES CORPORATION (US) 1991-08-07 EP disclosed
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed