Methyl Salicylate

Methyl Salicylate

SCHEMBL1579926

CC(C)=CCC[C@H](C)[C@@H]1C=CC(C)=CC1.COC(=O)c1ccccc1O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
MCL1 Q07820 11/20 0.34
BCL2 P10415 3/20 0.34
PTPN1 P18031 1/20 0.34
BID P55957 9/20 0.34
BCL2L1 Q07817 8/20 0.34
BAK1 Q16611 8/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL23924349 0.81 PTPN1 (0.40) MCL1BCL2PTPN1BIDBCL2L1
SCHEMBL154620 0.81 PTPN1 (0.40) MCL1BCL2PTPN1BIDBCL2L1
Rel-Menthone SCHEMBL5961370 0.69 PTPN1 (0.35) MCL1BCL2PTPN1BIDBCL2L1
Linalool SCHEMBL20994222 0.67 ALOX15 (0.54) LMNATSHRALDH1A1HTTKMT2A
SCHEMBL22283526 0.67 ALOX15 (0.57) LMNATSHRALDH1A1HTTKMT2A
Methyl Salicylate SCHEMBL2450903 0.67 LMNA (0.96) LMNATSHRALDH1A1HTTKMT2A
Citronellol SCHEMBL29068783 0.65 ALDH1A1 (0.43) LMNAALDH1A1HTTKMT2A
Methyl Salicylate SCHEMBL28507609 0.65 LMNA (0.85) LMNATSHRALDH1A1HTTKMT2A
SCHEMBL15764699 0.65 PTPN1 (0.35) MCL1BCL2PTPN1BIDBCL2L1
Methyl Salicylate SCHEMBL28130511 0.65 LMNA (0.92) LMNATSHRALDH1A1HTTKMT2A

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-2309846-A1 PEST-CONTROL COMPOSITIONS AND METHODS HAVING HIGH TARGET AND LOW NON-TARGET ACTIVITY Tyratech, Inc. (US) 2011-04-20 EP disclosed
WO-2010011787-A1 PEST-CONTROL COMPOSITIONS AND METHODS HAVING HIGH TARGET AND LOW NON-TARGET ACTIVITY TYRATECH, INC. (US) 2010-01-28 WO disclosed