SCHEMBL9565951

SCHEMBL9565951

O=C(CC(=O)C(F)(F)F)c1ccccc1.[Cu]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 5/20 0.67
PLOD3 O60568 3/20 0.65
PLOD1 Q02809 3/20 0.65
CES1 P23141 4/20 0.61
MEN1 O00255 2/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPK1 P28482 2/20 0.61
MAPT P10636 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALOX15 P16050 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PTPN1 P18031 3/20 0.53
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
ALDH1A1 P00352 2/20 0.50
HIF1A Q16665 2/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL523476 0.98 PLOD2 (0.69) PLOD2PLOD3PLOD1CES1MEN1
SCHEMBL10613054 0.96 PLOD2 (0.67) PLOD2PLOD3PLOD1CES1MEN1
SCHEMBL9654173 0.96 PLOD2 (0.67) PLOD2PLOD3PLOD1CES1MEN1
SCHEMBL30846025 0.96 PLOD2 (0.67) PLOD2PLOD3PLOD1CES1MEN1
SCHEMBL9630807 0.96 PLOD2 (0.67) PLOD2PLOD3PLOD1CES1MEN1
Dimethylamine SCHEMBL10398768 0.92 PLOD2 (0.62) PLOD2PLOD3PLOD1CES1MEN1
SCHEMBL6666160 0.87 PLOD2 (0.66) PLOD2PLOD3PLOD1CES1MEN1
SCHEMBL22805019 0.83 PLOD2 (0.60) PLOD2PLOD3PLOD1CES1MEN1
SCHEMBL22804475 0.83 PLOD2 (0.60) PLOD2PLOD3PLOD1CES1MEN1
SCHEMBL22804652 0.83 ERCC5 (0.64) PLOD2PLOD3PLOD1ERCC5FEN1

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
EP-0565715-A1 LIQUEFIED GAS FUEL FOR GENERATING HIGHLY LUMINOUS COLORED FLAME YOSHIBI, CO., LTD. (JP) 1993-10-20 EP disclosed