Benzyl Salicylate

Benzyl Salicylate

SCHEMBL6692007

O=C(OCCc1ccccc1)c1ccccc1O.O=C(OCc1ccccc1)c1ccccc1O

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.82
L3MBTL1 Q9Y468 5/20 0.61
ALDH1A1 P00352 5/20 0.61
TSHR P16473 3/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 3/20 0.61
CYP3A4 P08684 2/20 0.61
MAPK1 P28482 2/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TP53 P04637 1/20 0.61
GLA P06280 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HIF1A Q16665 1/20 0.61
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
POLB P06746 1/20 0.54
EGFR P00533 1/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 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
SCHEMBL112400 0.94 TDP1 (0.70) TDP1L3MBTL1ALDH1A1TSHRRAB9A
SCHEMBL901184 0.94 TDP1 (0.70) TDP1L3MBTL1ALDH1A1TSHRRAB9A
SCHEMBL29626023 0.94 TDP1 (0.70) TDP1L3MBTL1ALDH1A1TSHRRAB9A
Benzyl Salicylate SCHEMBL30184766 0.91 TDP1 (1.00) TDP1L3MBTL1ALDH1A1TSHRRAB9A
Benzyl Salicylate SCHEMBL15573 0.91 TDP1 (1.00) TDP1L3MBTL1ALDH1A1TSHRRAB9A
Benzyl Salicylate SCHEMBL1871397 0.91 TDP1 (1.00) TDP1L3MBTL1ALDH1A1TSHRRAB9A
Salicylic Acid SCHEMBL31020340 0.89 TDP1 (0.64) TDP1L3MBTL1ALDH1A1TSHRRAB9A
Benzyl Salicylate SCHEMBL7199160 0.89 TDP1 (0.96) TDP1L3MBTL1ALDH1A1TSHRRAB9A
Benzyl Salicylate SCHEMBL27731147 0.89 TDP1 (0.96) TDP1L3MBTL1ALDH1A1TSHRRAB9A
Benzyl Salicylate SCHEMBL9633781 0.87 TDP1 (0.93) TDP1L3MBTL1ALDH1A1TSHRRAB9A

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
WO-2004098667-A1 CONTROL OF BODY ODOURS QUEST INTERNATIONAL SERVICES B.V. (NL) 2004-11-18 WO disclosed
WO-2002085115-A2 USE OF BENZYL ESTER COMPOSITIONS FOR CONTROLLING NON-ARTHROPOD PEST POPULATIONS BANKS GROUP, LLC (US) 2002-10-31 WO disclosed