SCHEMBL11166706

SCHEMBL11166706

COc1ccc(Nc2ccc(OC(C)C(=O)O)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.71
AKR1C2 P52895 5/20 0.71
MAPT P10636 8/20 0.64
AKR1B10 O60218 1/20 0.60
AKR1B1 P15121 1/20 0.60
AKR1C4 P17516 1/20 0.60
AKR1C1 Q04828 1/20 0.60
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LMNA P02545 2/20 0.55
GAA P10253 1/20 0.55
ALDH3A1 P30838 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL11166713 1.00 AKR1C3 (0.71) AKR1C3AKR1C2MAPTAKR1B10AKR1B1
SCHEMBL11162808 0.91 AKR1C3 (0.67) AKR1C3AKR1C2MAPTAKR1B10AKR1B1
SCHEMBL11156323 0.88 MAPT (0.66) AKR1C3AKR1C2MAPTAKR1B10AKR1B1
SCHEMBL11156326 0.88 MAPT (0.66) AKR1C3AKR1C2MAPTAKR1B10AKR1B1
SCHEMBL11329421 0.87 L3MBTL1 (0.60) AKR1C3AKR1C2MAPTAKR1B10AKR1B1
SCHEMBL10942207 0.84 MAPK1 (0.63) AKR1C3AKR1C2MAPTAKR1B1AKR1C4
SCHEMBL11157458 0.84 MAPT (0.51) AKR1C3AKR1C2MAPTAKR1B10AKR1B1
SCHEMBL11157453 0.84 MAPT (0.51) AKR1C3AKR1C2MAPTAKR1B10AKR1B1
SCHEMBL11467579 0.84 MAPK1 (0.63) AKR1C3AKR1C2MAPTAKR1B1AKR1C4
SCHEMBL11473772 0.84 MAPK1 (0.61) AKR1C3AKR1C2MAPTAKR1B1AKR1C4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0013144-B1 SUBSTITUTED DIPHENYLAMINE DERIVATIVES, COMPOSITIONS AND HERBICIDAL USES THEREOF, AND PROCESSES FOR THEIR PREPARATION ICI AUSTRALIA LIMITED (AU) 1983-02-23 EP claimed