SCHEMBL5792810

SCHEMBL5792810

CC(C)(C)O[C@@H](Cc1ccccc1)C(=O)C(Cl)N=C=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.39
PPARG P37231 16/20 0.37
PPARA Q07869 15/20 0.37
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL28216109 0.76 SRR (0.61) SRRPPARGPPARA
SCHEMBL28216110 0.76 SRR (0.61) SRRPPARGPPARA
SCHEMBL5788697 0.74 CTSS (0.34) SRRCTSSCTSLCTSBCTSK
SCHEMBL7808946 0.74 CYP1A2 (0.39) SRRPPARGPPARACTSSCTSL
SCHEMBL7821232 0.74 CYP1A2 (0.39) SRRPPARGPPARACTSSCTSL
SCHEMBL14158902 0.73 SRR (0.49) SRRPPARGPPARA
SCHEMBL10441236 0.70 ITGA4 (0.48) CTSSCTSLCTSBCTSK
SCHEMBL12483826 0.70 ITGA4 (0.48) CTSSCTSLCTSBCTSK
SCHEMBL8932578 0.68 CTSS (0.42) SRRPPARGPPARACTSSCTSK
SCHEMBL9118343 0.67 TAAR1 (0.42)

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-2006016116-A1 PROCESS FOR ASYMMETRIC CATALYTIC HYDROGENATION PHOENIX CHEMICALS LIMITED (GB) 2006-02-16 WO disclosed