SCHEMBL4528310

SCHEMBL4528310

O=C1CC(OC(=O)OC(Br)c2ccccc2)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
DDB1 Q16531 7/20 0.37
CRBN Q96SW2 7/20 0.37
ALDH1A1 P00352 1/20 0.34
CREBBP Q92793 8/20 0.33
BRD4 O60885 5/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6667157 0.84 HCAR2 (0.43) RAB9ADDB1CRBNALDH1A1CREBBP
SCHEMBL4036552 0.80 RAB9A (0.36) RAB9ADDB1CRBNALDH1A1CREBBP
SCHEMBL8418687 0.76 DDB1 (0.48) RAB9ADDB1CRBNALDH1A1
SCHEMBL975944 0.76 GAA (0.39) RAB9ADDB1CRBNALDH1A1CES2
SCHEMBL2957623 0.76 GAA (0.39) RAB9ADDB1CRBNALDH1A1CES2
SCHEMBL7385948 0.76 CYP19A1 (0.41) RAB9ADDB1CRBNCREBBPBRD4
SCHEMBL6168148 0.74 MMP1 (0.42) RAB9ADDB1CRBNALDH1A1CREBBP
SCHEMBL6483375 0.74 MMP1 (0.42) RAB9ADDB1CRBNALDH1A1CREBBP
SCHEMBL7380755 0.74 KMT2A (0.43) RAB9ADDB1CRBNCREBBPBRD4
SCHEMBL7381326 0.73 MEN1 (0.44) ALDH1A1

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