SCHEMBL13601501

SCHEMBL13601501

CCCc1cc(C(C)(OCOC)C(F)(F)F)ccc1Oc1cccc(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.42
NR1H3 Q13133 6/20 0.42
PPARG P37231 4/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
AR P10275 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TTR P02766 1/20 0.32

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
SCHEMBL1092827 0.89 NR1H2 (0.44) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13601353 0.83 NR1H2 (0.35) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1092410 0.82 NR1H2 (0.45) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13601366 0.81 NR1H2 (0.33) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1092352 0.79 NR1H2 (0.42) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL13601307 0.78 PPARD (0.38) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1091550 0.78 NR1H2 (0.42) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1091941 0.74 NR1H2 (0.42) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1092367 0.73 NR1H2 (0.34) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1091695 0.73 NR1H2 (0.43) 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