SCHEMBL11277698

SCHEMBL11277698

CCCCOC(C)OC(CCl)CCC=C(C)CCC(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11269369 0.90 PPARG (0.30) PPARG
SCHEMBL11279331 0.87 PPARG (0.31) PPARGPPARDPPARA
SCHEMBL11281561 0.86 CYP2D6 (0.33) PPARGPPARDPPARA
SCHEMBL11271413 0.80 ALOX15 (0.35)
SCHEMBL11266374 0.79 PPARG (0.30) PPARG
SCHEMBL11268420 0.76 PPARG (0.31) PPARGPPARDPPARA
SCHEMBL11268922 0.75 TSHR (0.35)
SCHEMBL11267293 0.75 CYP2D6 (0.36) PPARGPPARDPPARA
SCHEMBL11277703 0.73 PPARG (0.31) PPARGPPARDPPARA
SCHEMBL11263521 0.72 CYP3A4 (0.33) MAPTPPARGPPARDPPARA

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
EP-0054909-A2 9-Halo-8-hydroxy-4-methyl-4-nonenoic acids, derivatives thereof and a process for their preparation MITSUBISHI KASEI CORPORATION (JP) 1982-06-30 EP disclosed