SCHEMBL3353065

SCHEMBL3353065

CCOC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PKM P14618 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.43
PTGER4 P35408 1/20 0.43

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
SCHEMBL15321069 0.93 MAPT (0.58) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL18547374 0.91 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3358898 0.85 KMT2A (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL606162 0.85 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL29847375 0.85 ALDH1A1 (0.46) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL29848622 0.85 ALDH1A1 (0.46) MAPTALDH1A1LMNAHTTRAB9A
SCHEMBL13537228 0.85 MAPT (0.50) MAPTALDH1A1NPSR1HTTKMT2A
SCHEMBL28612388 0.85 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3358343 0.85 ALOX15 (0.55) MAPTALDH1A1NPSR1HTTKMT2A
SCHEMBL15319957 0.84 MAPT (0.66) MAPTALDH1A1SMN1; SMN2LMNAPOLB

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed