SCHEMBL8543446

SCHEMBL8543446

CC(C)(C)OC(=O)CN(CCOS(C)(=O)=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.43
NR1D1 P20393 4/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
NR1H3 Q13133 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ABCB1 P08183 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCRTR2 O43614 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30915258 0.85 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL7570965 0.85 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL782348 0.85 AKT1 (0.55) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL7562431 0.84 AKT1 (0.49) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL25539127 0.83 AKT1 (0.48) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL3844227 0.83 MEN1 (0.52) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL3775112 0.83 AKT1 (0.51) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL23130693 0.83 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL8018235 0.83 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL19079041 0.82 AKT1 (0.47) AKT1NR1D1CTSLCTSBCTSS

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-0646595-B1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1998-11-04 EP disclosed
US-5623049-A FLEXIBLE ANTISENSE AGENTS COMPRISING OLIGONUCEOTIDES HAVING THE (DEOXY)RIBOSE BACKBONE REPLACED BY AN OLIGOPEPTIDE; PROTEASE- AND NUCLEASE-RESISTANT; VIRICIDES; ATTACHED TO CARRIERS ABLE TO PENETRATATE IN CELLS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0646595-A1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1995-04-05 EP disclosed