Methyl Benzoate

Methyl Benzoate

SCHEMBL27948852

CCCS(=O)(=O)c1cccc(C(=O)c2ccccc2)c1.COC(=O)c1ccccc1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ACLY P53396 2/20 0.43
CTSG P08311 1/20 0.43
CMA1 P23946 1/20 0.43
LOX P28300 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4256145 0.89 LOX (0.51) L3MBTL1TSHRPOLBRXFP1ACLY
SCHEMBL27933091 0.79 HSD11B1 (0.47) TDP1ALDH1A1HSD11B1KMT2A
SCHEMBL23224423 0.79 LOX (0.54) TSHRPOLBRAB9AACLYCTSG
SCHEMBL4248338 0.79 CYP2C19 (0.55) CA1CA2ALDH1A1HSD11B1KMT2A
SCHEMBL27961684 0.75 PSIP1 (0.52) L3MBTL1TSHRATMTDP1ALDH1A1
SCHEMBL5733350 0.75 L3MBTL1 (0.69) L3MBTL1TSHRPOLBRAB9AATM
Benzophenone SCHEMBL27524744 0.75 TSHR (0.86) L3MBTL1TSHRPOLBRAB9ACA12
SCHEMBL31656383 0.75 GAA (0.49) ALDH1A1GAAHSD11B1
SCHEMBL11196979 0.75 GAA (0.49) ALDH1A1GAAHSD11B1
SCHEMBL23214492 0.75 LOX (0.48) TSHRPOLBRXFP1ACLYCTSG

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-103509135-A Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2014-01-15 CN disclosed