Methyl Benzoate

Methyl Benzoate

SCHEMBL8468464

CCOc1cccc2c1Cc1ccccc1O2.COC(=O)c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.38
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
Benzoic Acid SCHEMBL1723033 0.90 MRGPRX4 (0.47) ALDH1A1MRGPRX4MAPTRAB9ANPC1
Acetic Acid SCHEMBL1176753 0.88 L3MBTL1 (0.43) ALDH1A1MRGPRX4MAPTNPC1MEN1
SCHEMBL171010 0.85 MAOA (0.48) ALDH1A1MAPTMEN1KMT2AL3MBTL1
Ether SCHEMBL1723031 0.83 MAOA (0.41) MAPTSMN1; SMN2MEN1KMT2ASLC6A3
SCHEMBL8006592 0.81 KMT2A (0.38) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL8006594 0.79 MAOA (0.37) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL4745471 0.77 CXCR5 (0.42) TSHRALDH1A1MAPTRAB9AMEN1
SCHEMBL820383 0.75 TRPA1 (0.53) TSHRALDH1A1MAPTL3MBTL1GLA
SCHEMBL28207675 0.74 MAOA (0.42) MAPTMEN1KMT2A
Potassium SCHEMBL3084615 0.74 TRPA1 (0.52) TSHRALDH1A1MAPTL3MBTL1GLA

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
WO-1998048768-A9 COMPOSITIONS FOR COSMETIC APPLICATIONS MEDLOGIC GLOBAL CORP (US) 1999-03-25 WO disclosed