SCHEMBL13618536

SCHEMBL13618536

Cc1cccc(C)c1COc1cccc(CCCCC(=O)CO)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.50
PPARA Q07869 4/20 0.47
PPARG P37231 2/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
FDFT1 P37268 1/20 0.45
FFAR1 O14842 3/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL959881 0.89 CYSLTR2 (0.58) SLC22A12PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL1634802 0.88 CYSLTR2 (0.57) SLC22A12PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL1634145 0.88 CYSLTR2 (0.57) SLC22A12PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL1634166 0.88 CYSLTR2 (0.57) SLC22A12PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL3450066 0.85 SLC22A12 (0.55) SLC22A12PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL1634511 0.85 PPARA (0.60) SLC22A12PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL954242 0.85 FFAR1 (0.54) SLC22A12PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL1634988 0.84 PPARA (0.62) SLC22A12PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL956735 0.82 FFAR1 (0.62) SLC22A12FFAR1
SCHEMBL1010218 0.81 PPARA (0.58) SLC22A12PPARAPPARGCYSLTR2CYSLTR1

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
US-7615575-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2009-11-10 US disclosed
US-7615575-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2009-11-10 US disclosed