SCHEMBL20050157

SCHEMBL20050157

OC(COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)Cc1cccc(-c2ccc3ccc(C(O)CN(Cc4ccccc4)Cc4ccccc4)cc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
MAPK1 P28482 2/20 0.48
FFAR1 O14842 9/20 0.46
POLB P06746 2/20 0.43
CETP P11597 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL20050150 0.81 POLB (0.62) MAPTALDH1A1GAAMAPK1POLB
SCHEMBL24433912 0.80 ALDH1A1 (0.52) MAPTALDH1A1GAAMAPK1FFAR1
SCHEMBL20050078 0.73 MAPT (0.34) MAPTALDH1A1GAAMAPK1POLB
SCHEMBL21759061 0.72 POLB (0.61) MAPTALDH1A1GAAMAPK1POLB
SCHEMBL20050149 0.72 AOC3 (0.59) MEN1KMT2ATSHRCYP2D6CYP1A2
SCHEMBL21759173 0.72 POLB (0.76) MAPTALDH1A1GAAMAPK1POLB
SCHEMBL13866493 0.69 POLB (0.81) MAPTALDH1A1GAAMAPK1POLB
SCHEMBL6027881 0.69 POLB (0.81) MAPTALDH1A1GAAMAPK1POLB
SCHEMBL3416662 0.69 FFAR1 (0.60) FFAR1
SCHEMBL11013442 0.69 ALDH1A1 (0.51) MAPTALDH1A1GAAMAPK1POLB

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
WO-2018067685-A1 SMALL MOLECULE AMPK ACTIVATORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-04-12 WO disclosed