Methyl Salicylate

Methyl Salicylate

SCHEMBL27697194

CC(O)Oc1ccccc1.COC(=O)c1ccccc1O.OCCCCO

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 5/20 0.48
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 2/20 0.45
GLA P06280 1/20 0.45
PNLIP P16233 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
EGFR P00533 1/20 0.39
NOX4 Q9NPH5 1/20 0.39

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
Methyl Salicylate SCHEMBL27645401 0.92 TSHR (0.67) TSHRLMNATDP1HPGDHSD17B10
2-Hydroxybenzoic Acid Butyl Ester SCHEMBL5381776 0.80 TSHR (0.48) TSHRLMNATDP1HPGDHSD17B10
Salicylic Acid SCHEMBL28403214 0.79 ALDH1A1 (0.60) TSHRLMNATDP1HPGDHSD17B10
Methyl Salicylate SCHEMBL9561467 0.79 LMNA (0.73) TSHRLMNATDP1HPGDHSD17B10
Methyl Salicylate SCHEMBL28507609 0.79 LMNA (0.85) TSHRLMNATDP1HPGDHSD17B10
Methyl Salicylate SCHEMBL27571018 0.79 LMNA (0.85) TSHRLMNATDP1HPGDHSD17B10
Cetyl Alcohol SCHEMBL4448510 0.78 TSHR (0.67) TSHRLMNATDP1HSD17B10KDM4E
Salicylic Acid SCHEMBL8595154 0.77 ALDH1A1 (0.49) LMNATDP1HPGDHSD17B10ALOX15
Methyl Salicylate SCHEMBL4199244 0.77 TSHR (0.96) TSHRLMNATDP1HPGDHSD17B10
Methyl Salicylate SCHEMBL28099232 0.77 TSHR (0.96) TSHRLMNATDP1HPGDHSD17B10

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
CN-101084000-B External skin agent comprising modified clay for preventing inflammation POLA CHEM IND INC 2011-11-16 CN disclosed
CN-101084000-A External skin agent comprising modified clay for preventing inflammation POLA CHEM IND INC (JP) 2007-12-05 CN disclosed