SCHEMBL7936522

SCHEMBL7936522

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.36
MAPT P10636 1/20 0.31
PPIA P62937 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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 0.92 GHSR (0.37) GHSRPPIA
SCHEMBL7935099 0.86 GHSR (0.33) GHSRPPIAMEN1MAPK1KMT2A
SCHEMBL2745084 0.82 GHSR (0.38) GHSRMAPTPPIAMEN1MAPK1
SCHEMBL1820679 0.82 MAPT (0.39) GHSRMAPTPPIAMEN1MAPK1
SCHEMBL4094284 0.79 MAPT (0.44) GHSRMAPTPPIAMEN1MAPK1
SCHEMBL1350921 0.79 MAPT (0.47) GHSRMAPTPPIAMEN1MAPK1
SCHEMBL7934956 0.78 GHSR (0.36) GHSRKMT2AALDH1A1
SCHEMBL1353132 0.77 MAPT (0.50) GHSRMAPTPPIAMEN1MAPK1
SCHEMBL978565 0.77 MAPT (0.50) GHSRMAPTPPIAMEN1MAPK1
SCHEMBL8859492 0.77 GHSR (0.39) GHSRMAPTPPIAMEN1MAPK1

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