Benzyl Benzoate

Benzyl Benzoate

SCHEMBL9058384

CCCC.N.O=C(OCc1ccccc1)c1ccccc1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.82
KMT2A Q03164 4/20 0.82
SLC6A3 Q01959 2/20 0.82
SLC6A2 P23975 1/20 0.82
LMNA P02545 4/20 0.69
ALDH1A1 P00352 6/20 0.64
MAPT P10636 4/20 0.64
HPGD P15428 1/20 0.64
RAB9A P51151 4/20 0.61
GAA P10253 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.58
CYP3A4 P08684 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 1/20 0.55
NPC1 O15118 2/20 0.53
HTR1A P08908 1/20 0.53
CYP2D6 P10635 1/20 0.53
SCN1A P35498 1/20 0.53
SCN5A Q14524 1/20 0.53

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 SCHEMBL29007153 0.93 KMT2A (0.96) TDP1KMT2ASLC6A3SLC6A2LMNA
Benzyl Benzoate SCHEMBL252181 0.91 TDP1 (0.85) TDP1KMT2ASLC6A3SLC6A2LMNA
Benzyl Benzoate SCHEMBL27589165 0.91 TDP1 (0.92) TDP1KMT2ASLC6A3SLC6A2LMNA
Benzyl Benzoate SCHEMBL3038 0.91 KMT2A (1.00) TDP1KMT2ASLC6A3SLC6A2LMNA
Benzyl Benzoate SCHEMBL901058 0.91 KMT2A (1.00) TDP1KMT2ASLC6A3SLC6A2LMNA
Benzyl Benzoate SCHEMBL8010992 0.91 KMT2A (1.00) TDP1KMT2ASLC6A3SLC6A2LMNA
Benzyl Benzoate SCHEMBL28620326 0.89 TDP1 (0.82) TDP1KMT2ASLC6A3SLC6A2LMNA
Benzyl Benzoate SCHEMBL19180300 0.89 TDP1 (0.89) TDP1KMT2ASLC6A3SLC6A2LMNA
Benzyl Benzoate SCHEMBL20681635 0.89 TDP1 (0.89) TDP1KMT2ASLC6A3SLC6A2LMNA
Benzyl Benzoate SCHEMBL28162328 0.89 TDP1 (0.89) TDP1KMT2ASLC6A3SLC6A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479889-A TREATING TO MAKE INEDIBLE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-10-30 US claimed
JP-8157891-A None JP disclosed
JP-H08157891-A SEPARATING, EMULSIFYING AND WASHING AGENT AND ITS PRODUCTION THE KONPON:KK 1996-06-18 JP disclosed
US-4479889-A TREATING TO MAKE INEDIBLE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1984-10-30 US disclosed