SCHEMBL7935586

SCHEMBL7935586

COC(=O)C1(NC(=O)OC(C)(C)C)CC(Br)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GHSR Q92847 1/20 0.32
EPHX2 P34913 1/20 0.32
BTK Q06187 1/20 0.32
MAPT P10636 1/20 0.32
DGAT1 O75907 1/20 0.32
CACNA1H O95180 1/20 0.32
CTSL P07711 1/20 0.32
GAA P10253 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
DPP8 Q6V1X1 1/20 0.31

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 0.88 MEN1 (0.37) MEN1MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL14416213 0.85 MEN1 (0.41) MEN1MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL5934647 0.85 MEN1 (0.41) MEN1MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL5229523 0.85 MEN1 (0.41) MEN1MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL7936504 0.84 MAPT (0.39) MEN1MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL30894058 0.84 MEN1 (0.40) MEN1MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL21946033 0.81 KMT2A (0.38) MEN1MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL7926354 0.81 KMT2A (0.38) MEN1MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL1820679 0.81 MAPT (0.39) MEN1MAPK1KMT2AALDH1A1L3MBTL1
SCHEMBL7932788 0.80 MEN1 (0.38) MEN1MAPK1KMT2AALDH1A1L3MBTL1

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 5 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
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
US-5808146-A Amino acid analogs for tumor imaging EMORY UNIVERSITY (US) 1998-09-15 US 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