Salicylic Acid

Salicylic Acid

SCHEMBL8330264

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.O=C([O-])c1ccccc1O

nearest known ligand 0.54

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Known targets — ChEMBL curated mechanism

ACHE

The experimentally established mechanism targets of Salicylic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
NAAA Q02083 1/20 0.51
DNM1 Q05193 4/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
ADRB2 P07550 1/20 0.46
CHRM2 P08172 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46

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
Salicylic Acid SCHEMBL9749355 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDNAAADNM1
Didecyldimethylammonium SCHEMBL2370472 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDNAAADNM1
Salicylic Acid SCHEMBL4142977 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDNAAADNM1
Salicylic Acid SCHEMBL10738734 0.97 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDNAAADNM1
Salicylic Acid SCHEMBL10823138 0.95 DNM1 (0.53) ALDH1A1KDM4EHPGDNAAADNM1
Salicylic Acid SCHEMBL10815854 0.91 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDNAAADNM1
Salicylic Acid SCHEMBL21629461 0.91 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDNAAADNM1
Cetrimonium SCHEMBL4841411 0.91 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDNAAADNM1
Salicylic Acid SCHEMBL4841282 0.91 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDNAAADNM1
Salicylic Acid SCHEMBL9814393 0.91 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDNAAADNM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955288-A2 Dialkylquat and trialkylquat benzoate and salicylate salts WITCO CORPORATION (US) 1999-11-10 EP disclosed