SCHEMBL7936504

SCHEMBL7936504

COC(=O)C1(NC(=O)OC(C)(C)C)CCC(Br)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 1/20 0.33
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.32
HSD11B1 P28845 1/20 0.32
CTSK P43235 2/20 0.31
GHSR Q92847 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
PPIA P62937 1/20 0.30
CTSL P07711 1/20 0.30

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
SCHEMBL7938561 0.91 MEN1 (0.37) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL15114583 0.86 MAPT (0.40) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6519305 0.86 MAPT (0.40) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL16141939 0.86 MAPT (0.40) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL6519301 0.86 MAPT (0.40) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL1820679 0.85 MAPT (0.39) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL17816955 0.85 MAPT (0.39) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL16142024 0.85 MAPT (0.39) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL7935586 0.84 MEN1 (0.40) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL14640315 0.82 MAPT (0.38) MAPTKMT2AMEN1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862464-A4 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2001-07-25 EP disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed