SCHEMBL4528306

SCHEMBL4528306

O=C1CC(Br)(OC(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.51
CRBN Q96SW2 1/20 0.51
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL4036549 0.78 DDB1 (0.49) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL10611547 0.75 DDB1 (0.62) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL2361135 0.74 DDB1 (0.77) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL5552459 0.73 DDB1 (0.59) DDB1CRBNALDH1A1MAPK1L3MBTL1
SCHEMBL37382 0.71 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL2297578 0.70 DDB1 (0.49) DDB1CRBNALDH1A1NPC1GAA
SCHEMBL28157083 0.70 ALDH1A1 (0.57) ALDH1A1MAPK1L3MBTL1SMN1; SMN2KMT2A
Ammonia Solution, Strong SCHEMBL9998884 0.69 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1SMN1; SMN2KMT2A
Water SCHEMBL8217838 0.69 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1SMN1; SMN2KMT2A
Bicarbonate SCHEMBL29183459 0.69 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595108-B2 Nanoparticles comprising a metal core and an organic double coating useful as catalysts and device containing the nanoparticles COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-09-29 US disclosed
US-20080226895-A1 Use of Nanoparticles With a Metal Core and an Organic Double Coating as Catalysts and Nanoparticles That Are Useful as Catalysts COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-09-18 US disclosed
EP-1663487-A1 USE OF NANOPARTICLES WITH A METALLIC CORE AND A DOUBLE ORGANIC COATING AS CATALYSTS, AND NANOPARTICLES USED FOR SAME Commissariat A L'Energie Atomique (FR) 2006-06-07 EP disclosed
WO-2005021154-A1 USE OF NANOPARTICLES WITH A METALLIC CORE AND A DOUBLE ORGANIC COATING AS CATALYSTS, AND NANOPARTICLES USED FOR SAME COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-03-10 WO disclosed