SCHEMBL4547656

SCHEMBL4547656

[3H]CCCC(Cc1cc(F)c(OC)c(F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.43
PPARD Q03181 9/20 0.43
PPARG P37231 9/20 0.39
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
ACACB O00763 1/20 0.36
FOLH1 Q04609 1/20 0.35
CPA3 P15088 1/20 0.34

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
SCHEMBL4547653 0.77 ACACB (0.32) ACACB
SCHEMBL22444755 0.74 SLC7A5 (0.51) PPARG
SCHEMBL13629652 0.74 CHRM1 (0.47) PPARAPPARDPPARGPTGESALOX5
SCHEMBL29633874 0.71 PPARD (0.42) PPARAPPARDPPARGACACB
SCHEMBL22444669 0.69 GRIK1 (0.43)
SCHEMBL2126253 0.68 THRB (0.46) PPARG
SCHEMBL17019158 0.68 STING1 (0.45) PPARAPPARD
SCHEMBL21503451 0.67 DBH (0.41) PPARAPPARDACACB
SCHEMBL22444693 0.67 ALDH1A1 (0.47) PPARAPPARDACACB
SCHEMBL29633824 0.67 ACACB (0.38) PPARAPPARDACACB

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
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed