SCHEMBL6673738

SCHEMBL6673738

CC(C(=O)O)N(CCN)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.33
AAK1 Q2M2I8 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CA14 Q9ULX7 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL5739385 0.90 MEN1 (0.33) GABRR1AAK1MEN1GAAKMT2A
SCHEMBL1027531 0.86 AAK1 (0.34) AAK1CA14HDAC1HDAC2HDAC6
SCHEMBL25185999 0.85 CA14 (0.38) MEN1GAAKMT2ACA14HDAC1
SCHEMBL12808019 0.85 CA14 (0.38) MEN1GAAKMT2ACA14HDAC1
SCHEMBL2153085 0.84 CA14 (0.35) AAK1CA14
SCHEMBL2396942 0.82 CTSK (0.35) MEN1GAAKMT2ACA14HDAC1
SCHEMBL25406340 0.82 MEN1 (0.31) MEN1GAAKMT2ACA14HDAC1
SCHEMBL2396945 0.82 CTSK (0.35) MEN1GAAKMT2ACA14HDAC1
SCHEMBL32661810 0.82 MEN1 (0.31) MEN1GAAKMT2ACA14HDAC1
SCHEMBL1163137 0.81 MEN1 (0.34) MEN1GAAKMT2ACA14HDAC1

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-0968309-B1 METHOD FOR DETERMINING A NUCLEIC ACID GEORGIA TECH RES INST (US) 2004-10-13 EP disclosed
US-6225052-B1 HYBRIDIZING NUCLEIC ACID TO SYNTHETIC HYBRIDIZATION PROBE WHICH HAS NON-NATURAL BACKBONE AND WHICH IS LABELED WITH ELECTRON DONOR AND/OR ELECTRON ACCEPTOR, THEN ACTIVATING AND DETECTING ELECTRON TRANSFER ROCHE DIAGNOSTICS GMBH (DE) 2001-05-01 US disclosed
US-6117973-A PEPTIDE NUCLEIC ACID MONOMERS; FOR USE AS PROBES TO DETECT NUCLEIC ACIDS GEORGIA TECH RESEARCH CORP. (US) 2000-09-12 US disclosed
EP-0968309-A2 METHOD FOR DETERMINING A NUCLEIC ACID GEORGIA TECH RESEARCH CORPORATION (US) 2000-01-05 EP disclosed
WO-1998037232-A2 METHOD FOR DETERMINING A NUCLEIC ACID GEORGIA TECH RESEARCH CORPORATION (US) 1998-08-27 WO disclosed