SCHEMBL9565947

SCHEMBL9565947

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 0.55
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL583437 0.98 CES1 (0.57) CES1CYP3A4MAPTTDP1TSHR
SCHEMBL9630805 0.96 CES1 (0.55) CES1CYP3A4MAPTTDP1TSHR
SCHEMBL9655468 0.96 CES1 (0.55) CES1CYP3A4MAPTTDP1TSHR
SCHEMBL9770760 0.87 CES1 (0.46) CES1MAPTL3MBTL1KDM4EHPGD
SCHEMBL7907262 0.81 CES1 (0.73) CES1CYP3A4MAPTTDP1TSHR
SCHEMBL711848 0.81 PLOD2 (0.50) CES1KMT2ACES2PTPN1MLYCD
Phenanthroline SCHEMBL3130837 0.80 LMNA (0.43) CES1CYP3A4MAPTTDP1TSHR
SCHEMBL583454 0.79 CES1 (0.43) CES1MAPTTDP1HPGDLMNA
SCHEMBL584064 0.79 CES2 (0.43) CES1MAPTTSHRCYP2C19L3MBTL1
SCHEMBL2851867 0.79 PLOD2 (0.51) CYP3A4CYP2C19HSD17B10L3MBTL1KDM4E

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