SCHEMBL6848644

SCHEMBL6848644

FC(F)(F)c1ccc(-c2[c]ccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
MAPK14 Q16539 2/20 0.39
BACE1 P56817 3/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SCN9A Q15858 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7795502 0.94 KIF11 (0.44) KIF11MAPK14BACE1ALDH1A1TSHR
SCHEMBL8529939 0.86 GSTP1 (0.47) ALDH1A1TSHRMEN1KMT2ALTA4H
SCHEMBL6821467 0.86 SLC6A4 (0.41) KIF11SCN9ALTA4H
SCHEMBL7703136 0.84 LTA4H (0.46) ALDH1A1TSHRMEN1KMT2ALTA4H
SCHEMBL16719650 0.80 NOTUM (0.39) MAPK14TSHRLTA4H
SCHEMBL8315326 0.78 MAOB (0.44) ALDH1A1TSHRMEN1KMT2ALTA4H
SCHEMBL10965408 0.78 GSTP1 (0.37) ALDH1A1TSHRMEN1KMT2ALTA4H
SCHEMBL8531326 0.77 LTA4H (0.53) ALDH1A1TSHRMEN1KMT2ALTA4H
SCHEMBL16719443 0.76 PGR (0.40) BACE1TSHRMEN1KMT2ALTA4H
SCHEMBL8078153 0.76 KIF11 (0.43) KIF11BACE1ALDH1A1TSHRCYP1A2

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
US-6774125-B2 TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2004-08-10 US claimed