Methyl Salicylate

Methyl Salicylate

SCHEMBL28135754

CC(O)Oc1ccccc1.COC(=O)c1ccccc1O.NC(=O)NN1CCNC1.O=C1CNC(=O)N1.[NaH]

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL598380 0.80 POLB (0.38) TSHRKMT2A
Methyl Salicylate SCHEMBL27645401 0.72 TSHR (0.67) TSHRLMNATDP1MEN1GAA
Methyl Salicylate SCHEMBL27697194 0.66 TSHR (0.56) TSHRLMNATDP1
Methylparaben SCHEMBL2859805 0.64 CA1 (0.51) LMNATDP1GAA
Salicylic Acid SCHEMBL28403214 0.62 ALDH1A1 (0.60) TSHRLMNATDP1ADRA1AMEN1
Methyl Salicylate SCHEMBL28507609 0.61 LMNA (0.85) TSHRLMNATDP1GAAKMT2A
SCHEMBL28189279 0.61 GNAI3 (0.34)
SCHEMBL7527875 0.61 GNAI3 (0.34)
Methyl Salicylate SCHEMBL28202612 0.60 TSHR (0.88) TSHRLMNATDP1GAAKMT2A
Methyl Salicylate SCHEMBL4199244 0.60 TSHR (0.96) TSHRLMNATDP1MEN1GAA

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-106420392-A Collagen gel with congelation state 北京湃生生物科技有限公司 2017-02-22 CN claimed
CN-106420392-A Collagen gel with congelation state 北京湃生生物科技有限公司 2017-02-22 CN disclosed