SCHEMBL10034768

SCHEMBL10034768

NCCC1=CC(=O)c2cccc(O)c2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 11/20 0.55
AURKA O14965 2/20 0.55
AURKB Q96GD4 2/20 0.55
BACE1 P56817 1/20 0.51
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
RECQL P46063 4/20 0.50
KMT2A Q03164 3/20 0.50
MAOA P21397 2/20 0.50
POLB P06746 2/20 0.50
USP2 O75604 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
ALOX15 P16050 3/20 0.49
MAPK1 P28482 3/20 0.49
HSD17B10 Q99714 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL10034772 0.88 MAPT (0.55) P4HBAURKAAURKBBACE1MAPT
SCHEMBL16938333 0.77 BACE1 (0.57) P4HBAURKAAURKBBACE1MAPT
SCHEMBL4196479 0.76 MEN1 (0.49) BACE1MAPTKMT2AMAOAUSP2
SCHEMBL29715761 0.76 STAT3 (0.58) P4HBAURKAAURKBBACE1MAPT
SCHEMBL10034767 0.76 MAOA (0.60) P4HBAURKAAURKBMAPTKDM4E
SCHEMBL16879551 0.75 P4HB (0.64) P4HBAURKAAURKBBACE1MAPT
Hydrochloric Acid SCHEMBL4120194 0.75 MEN1 (0.47) BACE1MAPTKMT2AMAOAUSP2
SCHEMBL10034769 0.75 P4HB (0.70) P4HBAURKAAURKBBACE1MAPT
SCHEMBL16453600 0.75 P4HB (0.51) P4HBAURKAAURKBBACE1MAPT
SCHEMBL5175867 0.74 MAPT (0.72) P4HBAURKAAURKBBACE1MAPT

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-2012004543-A1 DEVICE FOR DETECTING MOLECULES OF INTEREST, ITS MANUFACTURING PROCESS AND ITS USE UNIVERSITE PARIS DIDEROT-PARIS 7 (FR) 2012-01-12 WO disclosed