SCHEMBL7934965

SCHEMBL7934965

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
GHSR Q92847 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
PPIA P62937 2/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
DGAT1 O75907 1/20 0.32
MAPK10 P53779 1/20 0.32
CA12 O43570 1/20 0.31
CA14 Q9ULX7 1/20 0.31
APLNR P35414 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
SCHEMBL8859492 0.88 GHSR (0.39) GAANFKB1NFKB2RELAGHSR
SCHEMBL28252154 0.85 GAA (0.39) GAANFKB1NFKB2RELAGHSR
SCHEMBL16112133 0.84 GHSR (0.37) GAANFKB1NFKB2RELAGHSR
SCHEMBL2745084 0.84 GHSR (0.38) GAANFKB1NFKB2RELAGHSR
SCHEMBL1820679 0.82 MAPT (0.39) GAANFKB1NFKB2RELAGHSR
SCHEMBL5416762 0.81 GHSR (0.52) GAAGHSRMEN1KMT2APPIA
SCHEMBL7935099 0.81 GHSR (0.33) GAANFKB1NFKB2RELAGHSR
SCHEMBL1350921 0.79 MAPT (0.47) GAAGHSRMEN1MAPK1KMT2A
SCHEMBL4094284 0.79 MAPT (0.44) GAANFKB1NFKB2RELAGHSR
SCHEMBL978565 0.78 MAPT (0.50) GAAGHSRMEN1MAPK1KMT2A

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