SCHEMBL583354

SCHEMBL583354

O=C(CC(=O)C(F)(F)F)c1cccc2cc3ccccc3cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PLOD2 O00469 3/20 0.41
PTPN1 P18031 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.41
PLOD3 O60568 2/20 0.41
PLOD1 Q02809 2/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
CDC25B P30305 2/20 0.38
CES1 P23141 1/20 0.38
KAT6A Q92794 1/20 0.38
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL31238795 0.86 PTPN1 (0.57) KDM4EALDH1A1HDAC8PLOD2PTPN1
SCHEMBL710254 0.86 PTPN1 (0.57) KDM4EALDH1A1HDAC8PLOD2PTPN1
SCHEMBL10456257 0.84 PTPN1 (0.56) KDM4EALDH1A1HDAC8PLOD2PTPN1
SCHEMBL28103343 0.84 PTPN1 (0.56) KDM4EALDH1A1HDAC8PLOD2PTPN1
SCHEMBL14497162 0.80 PLOD2 (0.42) KDM4EALDH1A1GAAHDAC1HDAC7
SCHEMBL2697287 0.80 MEN1 (0.50) KDM4EALDH1A1HDAC1HDAC7HDAC8
SCHEMBL1152905 0.79 PLA2G2D (0.62) KDM4EALDH1A1GAAHDAC1HDAC7
SCHEMBL6568049 0.77 KDM4E (0.48) KDM4EALDH1A1GAAHDAC1HDAC7
SCHEMBL11629513 0.76 ALDH1A1 (0.61) KDM4EALDH1A1GAAPTPN1MTNR1A
SCHEMBL29215273 0.74 ALDH1A1 (0.59) KDM4EALDH1A1GAAPTPN1MTNR1A

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-2417216-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION Inbio Prof. Jürgen Büddefeld Dr. Peter Klauth Prof. Manfred Rietz Gbr (DE) 2012-02-15 EP claimed
WO-2010115503-A2 MODIFICATION OF LAYERED SILICATES FOR LUMINESCENCE ACTIVATION INBIO PROF. JÜRGEN BÜDDEFELD DR. PETER KLAUTH PROF. MANFRED RIETZ GBR (DE) 2010-10-14 WO claimed