SCHEMBL3418885

SCHEMBL3418885

O=C(O)Cc1ccc(CNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.64
HTT P42858 1/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC3 O15379 1/20 0.57
ENPP2 Q13822 2/20 0.56
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NAMPT P43490 1/20 0.54
TNKS O95271 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
AKR1B1 P15121 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
PRSS1 P07477 1/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51

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
Benzyl Benzylcarbamate SCHEMBL1136818 0.90 PLAU (0.70) PLAUHTTHDAC1HDAC2HDAC3
Benzyl Benzylcarbamate SCHEMBL9998166 0.89 PLAU (0.68) PLAUHTTHDAC1HDAC2HDAC3
Benzyl Benzylcarbamate SCHEMBL28413454 0.89 PLAU (0.68) PLAUHTTHDAC1HDAC2HDAC3
Benzyl Benzylcarbamate SCHEMBL19810513 0.89 PLAU (0.68) PLAUHTTHDAC1HDAC2HDAC3
SCHEMBL191161 0.87 PLAU (0.68) PLAUHTTHDAC1HDAC2HDAC3
SCHEMBL992896 0.87 PLAU (0.60) PLAUHTTHDAC1HDAC2HDAC3
SCHEMBL20047179 0.86 PLAU (0.66) PLAUHTTHDAC1HDAC2HDAC3
Benzyl Benzylcarbamate SCHEMBL29011837 0.85 PLAU (0.65) PLAUHTTHDAC1HDAC2HDAC3
SCHEMBL192484 0.84 PLAU (0.64) PLAUHTTHDAC1HDAC2HDAC3
SCHEMBL17064147 0.84 PLAU (0.64) PLAUHTTHDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240206-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2010-10-20 EP disclosed
WO-2009089022-A1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2009-07-16 WO disclosed