SCHEMBL3660073

SCHEMBL3660073

N#CCOc1cc(C(C(CO)c2ccc(Cl)cc2Cl)C(F)(F)F)ccn1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3652084 0.83 P2RX7 (0.33) MAPTGAAALDH1A1LMNA
SCHEMBL3656187 0.82 MAPT (0.36) MAPTLMNAHPGD
SCHEMBL3660501 0.78 MAPT (0.32) MAPTGAAALDH1A1LMNAHPGD
SCHEMBL838933 0.72 AR (0.38) MAPTGAAALDH1A1LMNAHPGD
SCHEMBL3803786 0.68 MRGPRX4 (0.37) MAPTALDH1A1NPSR1
SCHEMBL3659266 0.65 EEF2K (0.36)
SCHEMBL3658823 0.64 KDM4E (0.38) MAPTALDH1A1
SCHEMBL3654236 0.64 LOXL2 (0.37) MAPTALDH1A1HPGD
SCHEMBL3658596 0.63 EIF4E (0.36)
SCHEMBL3653089 0.62 RECQL (0.44)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO claimed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 WO disclosed