SCHEMBL3668697

SCHEMBL3668697

CC(C)(CCOCc1ccccc1)C[C@@H](CNI)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.52
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.49
PPARG P37231 2/20 0.47
CTSS P25774 4/20 0.47
KLK5 Q9Y337 3/20 0.42
KLK7 P49862 2/20 0.42
APP P05067 4/20 0.42
ACE P12821 1/20 0.41
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL1586917 0.88 PPARA (0.55) PPARASYKATMPPARGCTSS
SCHEMBL8564724 0.88 PPARA (0.55) PPARASYKATMPPARGCTSS
SCHEMBL1587188 0.87 PPARA (0.54) PPARASYKATMPPARGCTSS
SCHEMBL1684537 0.81 PPARA (0.48) PPARASYKATMPPARGCTSS
SCHEMBL8567696 0.81 PPARA (0.54) PPARASYKATMPPARGCTSS
SCHEMBL8567700 0.81 PPARA (0.54) PPARASYKATMPPARGCTSS
SCHEMBL18407225 0.76 PPARA (0.69) PPARASYKATMPPARGCTSS
SCHEMBL15341687 0.76 SYK (0.62) PPARASYKATMPPARGCTSS
SCHEMBL1363391 0.76 PPARA (0.59) PPARASYKATMPPARGCTSS
SCHEMBL1569316 0.76 PPARA (0.59) PPARASYKATMPPARGCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231280-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-09-29 EP disclosed
WO-2009074575-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 WO disclosed