SCHEMBL8199609

SCHEMBL8199609

CC(C)(C)OC(=O)N[C@@H](CC(=O)NC(=N)n1cccn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.43
PPARG P37231 8/20 0.43
ACE P12821 1/20 0.40
PPARD Q03181 2/20 0.39
CTSS P25774 3/20 0.37
CTSK P43235 2/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
IDO1 P14902 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
SCN9A Q15858 1/20 0.35
CCKAR P32238 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL8195869 0.80 PPARA (0.41) PPARAPPARGACEPPARDCTSK
SCHEMBL805980 0.80 NOS1 (0.40)
SCHEMBL29832351 0.79 PCSK9 (0.36)
SCHEMBL606575 0.74 PPARA (0.44) PPARAPPARGACEPPARDCTSS
SCHEMBL6739624 0.74 PPARA (0.44) PPARAPPARGACEPPARDCTSS
SCHEMBL10246509 0.74 PPARA (0.44) PPARAPPARGACEPPARDCTSS
SCHEMBL23259297 0.73 TDP1 (0.40) IDO1
SCHEMBL1033716 0.72 PPARA (0.42) PPARAPPARGACEPPARDCTSS
SCHEMBL28853919 0.72 PPARA (0.42) PPARAPPARGACEPPARDCTSS
SCHEMBL22755596 0.71 TDP1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000078723-A1 PROCESS FOR THE PREPARATION OF BUTOXYCARBONYLIMINO COMPOUNDS AND INTERMEDIATES THEREFOR GLAXO GROUP LIMITED (GB) 2000-12-28 WO disclosed