SCHEMBL3971968

SCHEMBL3971968

CCOC(=O)CCCOc1cccc(CCC(O)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MMP13 P45452 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
CYP2D6 P10635 4/20 0.40
LTA4H P09960 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
FAAH O00519 1/20 0.40
PDK2 Q15119 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
PTPN1 P18031 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL3971815 0.88 PTGDR2 (0.43) PPARAPPARGMMP13CYP2D6CTSS
SCHEMBL4572153 0.83 PPARA (0.50) PPARAPPARGMMP13CYSLTR2CYSLTR1
SCHEMBL12432984 0.77 CYSLTR2 (0.50) MMP13CYSLTR2CYSLTR1LTA4HFAAH
SCHEMBL19363215 0.77 EPHX2 (0.51) TSHRCYSLTR2CYSLTR1FAAHPDK2
SCHEMBL2208832 0.77 PFKFB3 (0.42) MAPK1L3MBTL1TSHRTDP1MMP13
SCHEMBL29823058 0.77 PFKFB3 (0.45) MAPK1L3MBTL1CYSLTR2CYSLTR1CTSK
SCHEMBL5353383 0.76 CYP1A2 (0.49) L3MBTL1CYP2D6CTSK
SCHEMBL3159659 0.76 PPARA (0.60) MAPK1L3MBTL1PPARAPPARGTSHR
SCHEMBL2137203 0.75 MAPK1 (0.66) MAPK1L3MBTL1PPARAPPARGTSHR
SCHEMBL4572152 0.74 PPARA (0.59) MAPK1L3MBTL1PPARAPPARGTSHR

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-2091955-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT Acucela, Inc. (US) 2009-08-26 EP disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed