SCHEMBL8560830

SCHEMBL8560830

CCOC(=O)Oc1cc([N+](=O)[O-])c(C)nc1OC(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MTOR P42345 1/20 0.37
MAPT P10636 1/20 0.36
PKM P14618 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
SCHEMBL9234771 0.90 POLB (0.39) ALDH1A1POLBKDM4EGALR2MITF
SCHEMBL8561529 0.87 ALDH1A1 (0.39) ALDH1A1POLBKDM4EGALR2MITF
SCHEMBL9231055 0.80 ALOX5 (0.39) ALDH1A1KDM4EKMT2A
SCHEMBL8564405 0.77 CUL4A (0.44) ALDH1A1XBP1NPSR1TDP1NPC1
SCHEMBL10257277 0.77 ALDH1A1 (0.44) ALDH1A1POLBKDM4EGALR2MITF
SCHEMBL8565917 0.77 KDM4E (0.39) ALDH1A1POLBKDM4ELMNAHPGD
SCHEMBL8367665 0.76 ALDH1A1 (0.43) ALDH1A1POLBKDM4EGALR2MITF
SCHEMBL8558386 0.76 MAPT (0.46) ALDH1A1POLBKDM4EGALR2MITF
SCHEMBL810412 0.75 ALDH1A1 (0.43) ALDH1A1POLBKDM4EGALR2MITF
SCHEMBL8564214 0.75 ALDH1A1 (0.39) ALDH1A1POLBKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661282-B1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AG (DE) 1998-04-22 EP disclosed
EP-0661282-A1 Pyridine-2,3-dicarboxylic imides, process for their preparation and their use to control the growth of unwanted plants BASF AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed