Salicylic Acid

Salicylic Acid

SCHEMBL31344273

Cc1cncc([C@@H]2CCCN2C)c1C.O=C(O)c1ccccc1O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

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
▸ KDM4E B2RXH2 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ CHRNB2 P17787 3/20 0.40
▸ CHRNB4 P30926 3/20 0.40
▸ CHRNA3 P32297 3/20 0.40
▸ CHRNA7 P36544 3/20 0.40
▸ CHRNA4 P43681 3/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ HSP90AB1 P08238 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ HMGB1 P09429 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA6 P23280 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
Salicylic Acid SCHEMBL27199863 1.00 KDM4E (0.41) KDM4EBLMALOX15PRMT5WDR77
Salicylic Acid SCHEMBL27199866 0.87 BLM (0.46) KDM4EBLMALOX15CHRNB2CHRNB4
Salicylic Acid SCHEMBL31344158 0.87 BLM (0.46) KDM4EBLMALOX15CHRNB2CHRNB4
Benzoic Acid SCHEMBL27199910 0.86 BLM (0.44) KDM4EBLMALOX15PRMT5WDR77
Acetic Acid SCHEMBL27199898 0.84 KDM4E (0.43) KDM4EBLMALOX15PRMT5WDR77
Salicylic Acid SCHEMBL27199940 0.82 GRM5 (0.40) KDM4EBLMALOX15CHRNB2CHRNB4
Salicylic Acid SCHEMBL31344155 0.82 GRM5 (0.40) KDM4EBLMALOX15CHRNB2CHRNB4
SCHEMBL30866547 0.81 CHRNB4 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL31019623 0.81 CHRNB4 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27200145 0.81 CHRNB4 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
CN-118984653-A Vaporizable alkaloid compositions and methods of use thereof 瑞迪美天然有限公司 2024-11-19 — — CN disclosed
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