SCHEMBL7196335

SCHEMBL7196335

CC(C)(C)OC(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GRIK1 P39086 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
MPO P05164 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX5 P09917 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7594732 0.88 SMN1; SMN2 (0.54) MAPTSMN1; SMN2PKMHTTALDH1A1
SCHEMBL30676217 0.87 SMN1; SMN2 (0.47) MAPTSMN1; SMN2PKMHTTALDH1A1
SCHEMBL28075702 0.87 MAPT (0.50) MAPTSMN1; SMN2PKMHTTALDH1A1
SCHEMBL29534282 0.84 HPGD (0.61) MAPTSMN1; SMN2PKMHTTALDH1A1
SCHEMBL14691594 0.84 HPGD (0.61) MAPTSMN1; SMN2PKMHTTALDH1A1
SCHEMBL655856 0.84 MEN1 (0.56) MAPTSMN1; SMN2PKMHTTALDH1A1
SCHEMBL10033297 0.84 HTT (0.50) MAPTSMN1; SMN2PKMHTTALDH1A1
SCHEMBL2061142 0.83 KMT2A (0.50) MAPTSMN1; SMN2AKR1C3AKR1C2MPO
SCHEMBL12031278 0.83 PDK1 (0.63) MAPTPKMHTTALDH1A1RAB9A
SCHEMBL1008274 0.83 HTT (0.49) MAPTSMN1; SMN2PKMHTTALDH1A1

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
US-6600016-B1 Solid support for use in the biosynthesis of combinatorial libraries ADVANCED SYNTECH LLC 2003-07-29 US disclosed