SCHEMBL8835233

SCHEMBL8835233

C[CH][CH]C(=O)OCCOc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGER Q15109 2/20 0.62
PPARA Q07869 1/20 0.59
AR P10275 16/20 0.56
MAOB P27338 1/20 0.53

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
SCHEMBL8834943 0.91 AGER (0.61) AGERPPARAARMAOB
SCHEMBL7915805 0.88 AGER (0.67) AGERPPARAARMAOB
SCHEMBL8834803 0.85 AGER (0.59) AGERPPARAARMAOB
SCHEMBL7914253 0.83 AGER (0.62) AGERPPARAARMAOB
SCHEMBL4579567 0.82 AR (0.69) AGERPPARAARMAOB
SCHEMBL9190450 0.81 AGER (0.71) AGERPPARAARMAOB
SCHEMBL15339822 0.78 AGER (0.67) AGERARMAOB
SCHEMBL238765 0.78 AGER (0.70) AGERARMAOB
SCHEMBL7920960 0.77 AGER (0.60) AGERPPARAARMAOB
SCHEMBL16603992 0.77 AGER (1.00) AGERPPARAARMAOB

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
EP-0783537-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1997-07-16 EP disclosed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO disclosed