SCHEMBL3397681

SCHEMBL3397681

Cc1cc(CC=O)ccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 11/20 0.36
CTSD P07339 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
APP P05067 1/20 0.35
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 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
SCHEMBL17423595 0.85 FFAR4 (0.43) ALDH1A1MAPTPPARGPPARDPPARA
SCHEMBL5184347 0.84 PDE4A (0.43) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL3399129 0.81 PPARG (0.38) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL15693312 0.81 ALDH1A1 (0.42) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL5184176 0.80 ALOX15 (0.39) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL16957987 0.79 ALDH1A1 (0.44) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL19664448 0.79 CSNK2A1 (0.47) ALDH1A1MEN1LMNAMAPTHTT
SCHEMBL195794 0.79 ALDH1A1 (0.50) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL30536212 0.79 ALDH1A1 (0.50) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL17159711 0.77 MEN1 (0.40) ALDH1A1MEN1LMNAMAPTHTT

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-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed