Benzyl Salicylate

Benzyl Salicylate

SCHEMBL7809986

CCOC(=O)c1ccccc1C(=O)OCC.O=C(OCc1ccccc1)c1ccccc1O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.82
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.64
L3MBTL1 Q9Y468 3/20 0.62
CYP3A4 P08684 1/20 0.62
MAPK1 P28482 1/20 0.62
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
POLB P06746 1/20 0.54
SIRT5 Q9NXA8 1/20 0.53
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HSD17B10 Q99714 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
SCHEMBL660947 0.92 TSHR (0.75) TDP1ALDH1A1TSHRL3MBTL1CYP3A4
Benzyl Salicylate SCHEMBL8024083 0.91 TDP1 (0.87) TDP1ALDH1A1TSHRL3MBTL1CYP3A4
Benzyl Salicylate SCHEMBL1871397 0.91 TDP1 (1.00) TDP1ALDH1A1TSHRL3MBTL1CYP3A4
Benzyl Salicylate SCHEMBL30184766 0.91 TDP1 (1.00) TDP1ALDH1A1TSHRL3MBTL1CYP3A4
Benzyl Salicylate SCHEMBL15573 0.91 TDP1 (1.00) TDP1ALDH1A1TSHRL3MBTL1CYP3A4
Benzyl Salicylate SCHEMBL28184183 0.89 TDP1 (0.90) TDP1ALDH1A1TSHRL3MBTL1CYP3A4
Benzyl Salicylate SCHEMBL7199160 0.89 TDP1 (0.96) TDP1ALDH1A1TSHRL3MBTL1CYP3A4
Benzyl Salicylate SCHEMBL27731147 0.89 TDP1 (0.96) TDP1ALDH1A1TSHRL3MBTL1CYP3A4
Benzyl Salicylate SCHEMBL9633781 0.87 TDP1 (0.93) TDP1ALDH1A1TSHRL3MBTL1CYP3A4
Ethyl Salicylate SCHEMBL30767175 0.87 TSHR (0.71) TDP1ALDH1A1TSHRL3MBTL1CA12

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
EP-1161517-A1 PERFUMED LIQUID HOUSEHOLD CLEANING, FABRIC TREATMENT AND DEODORIZING COMPOSITIONS PACKAGED IN MODIFIED POLYETHYLENE BOTTLES The Procter & Gamble Company (US) 2001-12-12 EP disclosed
WO-2000055292-A1 PERFUMED LIQUID HOUSEHOLD CLEANING FABRIC TREATMENT AND DEODORIZING COMPOSITIONS PACKAGED IN POLYETHYLENE BOTTLES MODIFIED TO PRESERVE PERFUME INTEGRITY THE PROCTER & GAMBLE COMPANY (US) 2000-09-21 WO disclosed