Methyl Benzoate

Methyl Benzoate

SCHEMBL28066697

COC(=O)c1ccccc1.ClCc1ccccc1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 3/20 0.53
LOXL2 Q9Y4K0 2/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
AGTR1 P30556 1/20 0.53
MGLL Q99685 1/20 0.53
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 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
Benzoic Acid SCHEMBL27984290 0.90 TSHR (0.61) TSHRCA1CA2RAB9ANPC1
SCHEMBL200 0.86 LOXL2 (0.66) TSHRCA1CA2KMT2ATDP1
Phosphine SCHEMBL10705044 0.85 LOXL2 (0.63) TSHRCA1CA2KMT2ATDP1
Methyl Benzoate SCHEMBL28537345 0.84 TSHR (1.00) TSHRCA1CA2SLC6A3KMT2A
Methyl Benzoate SCHEMBL29831725 0.84 TSHR (1.00) TSHRCA1CA2SLC6A3KMT2A
Methyl Benzoate SCHEMBL29039896 0.84 TSHR (1.00) TSHRCA1CA2SLC6A3KMT2A
Methyl Benzoate SCHEMBL1867855 0.84 TSHR (1.00) TSHRCA1CA2SLC6A3KMT2A
Methyl Benzoate SCHEMBL28945661 0.84 TSHR (1.00) TSHRCA1CA2SLC6A3KMT2A
Methyl Benzoate SCHEMBL1332323 0.84 TSHR (1.00) TSHRCA1CA2SLC6A3KMT2A
Methyl Benzoate SCHEMBL7200 0.84 TSHR (1.00) TSHRCA1CA2SLC6A3KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585587-A Ether bond containing high temperature resisting organic rare earth complex light-emitting material and preparation method thereof UNIV TIANJIN POLYTECHNIC 2016-05-18 CN claimed
CN-105585587-A Ether bond containing high temperature resisting organic rare earth complex light-emitting material and preparation method thereof UNIV TIANJIN POLYTECHNIC 2016-05-18 CN disclosed