SCHEMBL6568049

SCHEMBL6568049

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
PLA2G2D Q9UNK4 1/20 0.38
CPA1 P15085 1/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CES1 P23141 1/20 0.34
HDAC2 Q92769 3/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
KAT6A Q92794 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL1115089 0.83 KDM4E (0.44) KDM4EALDH1A1CPA1HDAC1HDAC7
SCHEMBL583354 0.77 KDM4E (0.53) KDM4EALDH1A1GAAPLA2G2DHDAC1
SCHEMBL1152905 0.75 PLA2G2D (0.62) KDM4EALDH1A1GAAPLA2G2DHDAC1
SCHEMBL578683 0.69 KDM4E (0.71) KDM4EALDH1A1GAAHDAC8PTPN1
SCHEMBL123193 0.67 ALDH1A1 (0.69) KDM4EALDH1A1GAAPTPN1MEN1
SCHEMBL26093 0.67 KDM4E (0.69) KDM4EALDH1A1GAAHDAC1HDAC7
SCHEMBL29196640 0.67 KDM4E (0.69) KDM4EALDH1A1GAAHDAC8PTPN1
SCHEMBL29405887 0.67 ALDH1A1 (0.69) KDM4EALDH1A1GAAPTPN1MEN1
SCHEMBL657598 0.66 KDM4E (0.67) KDM4EALDH1A1GAAHDAC1HDAC7
Hydrochloric Acid SCHEMBL8505033 0.66 ALDH1A1 (0.67) KDM4EALDH1A1GAAPTPN1MEN1

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-1458834-A1 DOPED LITHIUM QUINOLATE Elam-T Limited (GB) 2004-09-22 EP disclosed
EP-1336209-A2 ELECTROLUMINESCENT DEVICE Elam-T Limited (GB) 2003-08-20 EP disclosed
WO-2003046107-A1 DOPED LITHIUM QUINOLATE ELAM-T LIMITED (GB) 2003-06-05 WO disclosed
WO-2002043447-A2 ELECTROLUMINESCENT DEVICE ELAM-T LIMITED (GB) 2002-05-30 WO disclosed