Methyl Benzoate

Methyl Benzoate

SCHEMBL27635675

COC(=O)c1ccccc1.O=C(O)c1cccc(F)c1

nearest known ligand 0.63

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 3/20 0.60
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
MAPT P10636 1/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
KDM4E B2RXH2 2/20 0.51
KDM6B O15054 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51

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
SCHEMBL29570653 0.88 KMT2A (0.69) TSHRKMT2AMEN1LMNARAB9A
SCHEMBL1056526 0.88 KMT2A (0.69) TSHRKMT2AMEN1LMNARAB9A
SCHEMBL17070601 0.88 KMT2A (0.69) TSHRKMT2AMEN1LMNARAB9A
Hydrochloric Acid SCHEMBL30779154 0.86 KMT2A (0.67) TSHRKMT2AMEN1LMNARAB9A
Methyl Alcohol SCHEMBL27893546 0.84 CES2 (0.65) KMT2AMEN1RAB9ANPC1L3MBTL1
SCHEMBL28396 0.84 CES2 (0.71) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL29665004 0.84 CES2 (0.71) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL13950378 0.84 CES2 (0.71) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL39797 0.82 KDM4E (0.66) TSHRRAB9ANPC1POLBKDM4E
SCHEMBL30262601 0.82 KDM4E (0.66) TSHRRAB9ANPC1POLBKDM4E

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
CN-1724597-A Phase change inks XEROX CORP (US) 2006-01-25 CN disclosed