SCHEMBL3382016

SCHEMBL3382016

O=C(O)CC[C@@H](C(=O)O)N(Br)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.46
KDM4A O75164 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM2A Q9Y2K7 2/20 0.46
TET3 O43151 1/20 0.46
FOLH1 Q04609 10/20 0.44
CYP1A2 P05177 2/20 0.44
GRM3 Q14832 2/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GSR P00390 1/20 0.44
GRIK1 P39086 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44

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
SCHEMBL3382012 1.00 TET2 (0.46) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3377870 0.82 TET2 (0.43) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3381967 0.82 KMT2A (0.50) CYP1A2GRM3GRM8GRM6GRIN2D
SCHEMBL3377867 0.82 TET2 (0.43) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL3381970 0.82 KMT2A (0.50) CYP1A2GRM3GRM8GRM6GRIN2D
SCHEMBL30311039 0.79 CYP1A2 (0.43) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL4781073 0.78 TET2 (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL4713126 0.78 TET2 (0.48) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL198528 0.76 CYP1A2 (0.50) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL9183334 0.76 TET2 (0.46) TET2KDM4AKDM4CKDM2ATET3

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
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO claimed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed