SCHEMBL8627281

SCHEMBL8627281

CC(C)(C)OC(=O)NC(C)(CCBr)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.42
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
AKT1 P31749 1/20 0.36
CTSS P25774 8/20 0.36
CTSK P43235 8/20 0.36
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 3/20 0.34
CA7 P43166 3/20 0.34
CA2 P00918 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
APLNR P35414 1/20 0.33
IDO1 P14902 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
SCHEMBL4909422 0.90 NAALAD2 (0.40) NAALAD2MEN1GAAKMT2AAKT1
SCHEMBL13623325 0.86 DGAT1 (0.42) MEN1GAAKMT2AAKT1CTSK
SCHEMBL4907414 0.85 MEN1 (0.39) NAALAD2MEN1GAAKMT2AAKT1
SCHEMBL28065098 0.84 TDP1 (0.43) NAALAD2MEN1GAAKMT2ACTSS
SCHEMBL28168389 0.84 NAALAD2 (0.43) NAALAD2MEN1GAAKMT2ACTSS
SCHEMBL15619294 0.82 NAALAD2 (0.42) NAALAD2MEN1GAAKMT2AAKT1
SCHEMBL15619190 0.82 NAALAD2 (0.42) NAALAD2MEN1GAAKMT2ACTSS
Hydrochloric Acid SCHEMBL1740503 0.82 NAALAD2 (0.42) NAALAD2MEN1GAAKMT2ACTSS
SCHEMBL8971824 0.82 NAALAD2 (0.65) NAALAD2MEN1GAAKMT2ACTSS
SCHEMBL3031112 0.82 NAALAD2 (0.65) NAALAD2MEN1GAAKMT2ACTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN disclosed
CN-1401621-A Intermediate for preparing tricyclic compound and preparation method of intermediate HOECHST MARION ROUSSEL INC (FR) 2003-03-12 CN disclosed
US-5705333-A Peptide-based nucleic acid mimics(PENAMS) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-01-06 US disclosed
WO-1996004000-A1 PEPTIDE-BASED NUCLEIC ACID MIMICS (PENAMs) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-02-15 WO disclosed