Benzyl Benzoate

Benzyl Benzoate

SCHEMBL3894643

O=C(OCc1ccccc1)c1ccccc1.O=S(=O)(Cl)Cl

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.82
TDP1 Q9NUW8 4/20 0.82
SLC6A2 P23975 1/20 0.82
SLC6A3 Q01959 1/20 0.82
LMNA P02545 3/20 0.69
ALDH1A1 P00352 8/20 0.59
MAPT P10636 3/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK1 P28482 2/20 0.50

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
Benzyl Benzoate SCHEMBL8010992 0.91 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.91 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL901058 0.91 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL27470495 0.89 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL29144647 0.89 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL28370886 0.89 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL27679311 0.89 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL29101943 0.89 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL29007153 0.89 KMT2A (0.96) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL27589165 0.87 TDP1 (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed
CN-1046710-C New 4-aminopyridines, process for preparing the same and medicaments containing the same LUOHE DIAGNOSTIC EQUIPMENT CO (DE) 1999-11-24 CN disclosed
CN-1119858-A Aminopyridines, process for their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1996-04-03 CN disclosed