Salicylic Acid

Salicylic Acid

SCHEMBL31344154

Cc1cnc(C)c([C@@H]2CCCN2C)c1.O=C(O)c1ccccc1O

nearest known ligand 0.48

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
▸ AADAT Q8N5Z0 2/20 0.42
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ ALDH1A1 P00352 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
▸ CA7 P43166 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ CA14 Q9ULX7 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 SCHEMBL27199836 1.00 AADAT (0.42) AADATCHRNB2CHRNB4CHRNA3CHRNA7
Benzoic Acid SCHEMBL27199899 0.86 AADAT (0.45) AADATCHRNB2CHRNB4CHRNA3CHRNA7
Salicylic Acid SCHEMBL27199859 0.86 ALDH1A1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Salicylic Acid SCHEMBL31344157 0.86 ALDH1A1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Salicylic Acid SCHEMBL27199926 0.84 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Salicylic Acid SCHEMBL27199940 0.84 GRM5 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Salicylic Acid SCHEMBL31344174 0.84 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Salicylic Acid SCHEMBL31344155 0.84 GRM5 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Acetic Acid SCHEMBL27199849 0.84 AADAT (0.42) AADATCHRNB2CHRNB4CHRNA3CHRNA7
Salicylic Acid SCHEMBL31344145 0.81 PARP1 (0.42) 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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