SCHEMBL5326803

SCHEMBL5326803

Cc1ccc(CNC(=O)CC(C)(C)CC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 3/20 0.53
KMT2A Q03164 9/20 0.52
MEN1 O00255 5/20 0.52
NPC1 O15118 3/20 0.51
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL5325737 0.84 NPC1 (0.59) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL14995962 0.83 HPGD (0.73) ALDH1A1TDP1SMN1; SMN2HPGDKMT2A
SCHEMBL12585020 0.78 POLB (0.59) ALDH1A1TDP1SMN1; SMN2HPGDKMT2A
SCHEMBL5326701 0.77 HTT (0.70) ALDH1A1TDP1SMN1; SMN2HPGDKMT2A
SCHEMBL3662909 0.75 SMN1; SMN2 (0.71) ALDH1A1TDP1SMN1; SMN2HPGDKMT2A
SCHEMBL12326826 0.74 KMT2A (0.62) ALDH1A1TDP1SMN1; SMN2HPGDKMT2A
SCHEMBL660986 0.74 KMT2A (0.62) ALDH1A1TDP1SMN1; SMN2HPGDKMT2A
SCHEMBL13932527 0.74 KMT2A (0.83) ALDH1A1TDP1SMN1; SMN2HPGDKMT2A
SCHEMBL5328968 0.74 MEN1 (0.50) ALDH1A1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL13870219 0.73 SLC13A5 (0.50) ALDH1A1TDP1SMN1; SMN2HPGDKMT2A

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
WO-2007142431-A1 NEW NON-PEPTIDE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2007-12-13 WO disclosed