Benzyl Benzoate

Benzyl Benzoate

SCHEMBL9296609

O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(OCC(O)CO)c1ccccc1.O=C(OCc1ccccc1)c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

The experimentally established mechanism targets of Benzyl Benzoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
TDP1 Q9NUW8 3/20 0.64
SLC6A2 P23975 1/20 0.64
SLC6A3 Q01959 1/20 0.64
LMNA P02545 3/20 0.55
ALDH1A1 P00352 5/20 0.54
ADRB2 P07550 3/20 0.51
ADRB1 P08588 3/20 0.51
ADRB3 P13945 3/20 0.51
MAPT P10636 3/20 0.49
HPGD P15428 1/20 0.49
PRKCA P17252 1/20 0.48
RAB9A P51151 5/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
MEN1 O00255 1/20 0.44

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 SCHEMBL9956241 0.91 ALDH1A1 (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzoic Acid SCHEMBL136510 0.91 ALDH1A1 (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzoic Acid SCHEMBL28388934 0.91 ALDH1A1 (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzoic Acid SCHEMBL7688676 0.91 ALDH1A1 (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL1142343 0.88 KMT2A (0.77) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1866116 0.87 ALDH1A1 (0.70) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL1866113 0.87 ALDH1A1 (0.70) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3391 0.87 ALDH1A1 (0.70) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL2788016 0.85 MAPT (0.58) KMT2AALDH1A1ADRB2ADRB1ADRB3
SCHEMBL20515564 0.85 ALDH1A1 (0.68) 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
US-9050272-B1 Nail polish composition HOMMA MICHAEL MITSUO (US) 2015-06-09 US claimed
US-9050272-B1 Nail polish composition HOMMA MICHAEL MITSUO (US) 2015-06-09 US disclosed
WO-2013086405-A1 LONG LASTING FINGERNAIL LACQUER AND METHOD FOR MANUFACTURE HOMMA MICHAEL MITSUO (US) 2013-06-13 WO disclosed
US-20130149266-A1 Long lasting fingernail lacquer and method for manufacture HOMMA MICHAEL MITSUO (US) 2013-06-13 US disclosed
US-5290543-A Overcoatings for nails REVLON CONSUMER PRODUCTS CORPORATION (US) 1994-03-01 US disclosed