SCHEMBL17545334

SCHEMBL17545334

COc1cc(C(=O)NCC(=O)O)ccc1OC(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.59
PDE4B Q07343 1/20 0.59
PDE4C Q08493 1/20 0.59
PDE4D Q08499 1/20 0.59
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.54
NR1H4 Q96RI1 1/20 0.53
TP53 P04637 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL8178988 0.89 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL15969626 0.84 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL11755700 0.84 POLB (0.68) KMT2AMEN1POLBTP53NPC1
SCHEMBL15572275 0.82 TSHR (0.67) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL15595867 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL14248660 0.81 CA12 (0.71) ALDH1A1NR1H4RAB9AGAAHTT
SCHEMBL30708091 0.81 CA12 (0.71) ALDH1A1NR1H4RAB9AGAAHTT
SCHEMBL31465194 0.80 HTT (0.61) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL6138174 0.80 HTT (0.61) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL15573893 0.80 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DKMT2A

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
WO-2016033190-A1 RADIOTRACER COMPOUNDS EISAI, INC. (JP) 2016-03-03 WO disclosed
WO-2016033190-A1 RADIOTRACER COMPOUNDS EISAI, INC. (JP) 2016-03-03 WO disclosed