SCHEMBL7935099

SCHEMBL7935099

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
HTT P42858 1/20 0.30
PPIA P62937 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
SCHEMBL7926246 0.89 GHSR (0.37) GHSRGAAPPIA
SCHEMBL7936522 0.86 GHSR (0.36) GHSRMEN1KMT2AMAPK1NPC1
SCHEMBL7934965 0.81 GAA (0.38) GHSRGAAMEN1KMT2AMAPK1
SCHEMBL1820679 0.77 MAPT (0.39) GHSRGAAMEN1KMT2AMAPK1
SCHEMBL7934810 0.77 GHSR (0.33) GHSRKMT2A
SCHEMBL5416762 0.77 GHSR (0.52) GHSRGAAMEN1KMT2ANPC1
SCHEMBL4094284 0.74 MAPT (0.44) GHSRGAAMEN1KMT2AMAPK1
SCHEMBL1350921 0.74 MAPT (0.47) GHSRGAAMEN1KMT2AMAPK1
SCHEMBL7935586 0.74 MEN1 (0.40) GHSRGAAMEN1KMT2AMAPK1
SCHEMBL8859492 0.73 GHSR (0.39) GHSRGAAMEN1KMT2AMAPK1

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