SCHEMBL13601366

SCHEMBL13601366

CCCc1cc(C(C)(OCOC)C(F)(F)F)ccc1Oc1cccc(CO)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.33
NR1H3 Q13133 9/20 0.33
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
PDE5A O76074 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE7A Q13946 1/20 0.31

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
SCHEMBL1092346 0.90 NR1H2 (0.35) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13601501 0.81 NR1H2 (0.42) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1091964 0.80 NR1H2 (0.33) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1091756 0.78 NR1H2 (0.34) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1092540 0.77 NR1H2 (0.34) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13601353 0.74 NR1H2 (0.35) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13601307 0.73 PPARD (0.38) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13601369 0.72 NR1H2 (0.38) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13706681 0.71 PPARG (0.44) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1091890 0.70 PPARG (0.36) NR1H2NR1H3PPARGPPARDPPARA

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
WO-2009144961-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER 興和株式会社 (JP) 2009-12-03 WO disclosed