SCHEMBL27586155

SCHEMBL27586155

CC(C)(C)OC(=O)N[C@@H](COCCc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.70
PPARG P37231 4/20 0.64
CTSS P25774 6/20 0.57
CTSK P43235 6/20 0.56
ACE P12821 1/20 0.56
PPARD Q03181 2/20 0.52
CTSB P07858 2/20 0.52
CTSL P07711 1/20 0.52
ATM Q13315 1/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
APP P05067 1/20 0.47
IDO1 P14902 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL2782214 1.00 PPARA (0.70) PPARAPPARGCTSSCTSKACE
SCHEMBL2782216 1.00 PPARA (0.70) PPARAPPARGCTSSCTSKACE
SCHEMBL5369011 0.93 PPARA (0.67) PPARAPPARGCTSSCTSKACE
SCHEMBL2781907 0.90 PPARA (0.58) PPARAPPARGCTSSCTSKACE
SCHEMBL2781905 0.90 PPARA (0.58) PPARAPPARGCTSSCTSKACE
SCHEMBL20899650 0.90 PPARA (0.82) PPARAPPARGCTSSCTSKACE
SCHEMBL18555201 0.88 PPARA (0.78) PPARAPPARGCTSSCTSKACE
SCHEMBL18555200 0.88 PPARA (0.78) PPARAPPARGCTSSCTSKACE
SCHEMBL1132901 0.87 PPARA (0.90) PPARAPPARGCTSSCTSKACE
SCHEMBL17051 0.87 PPARA (0.90) PPARAPPARGCTSSCTSKACE

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
CN-1533390-A Pharmaceutical composition comprising triazaspiro [5.5] undecane derivative as active ingredient СҰҩƷ��ҵ��ʽ���� 2004-09-29 CN disclosed