Salicylic Acid

Salicylic Acid

SCHEMBL31344158

Cc1ccncc1[C@@H]1CCCN1C.O=C(O)c1ccccc1O

nearest known ligand 0.50

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
▸ BLM P54132 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CHRNA7 P36544 4/20 0.43
▸ CHRNB2 P17787 4/20 0.43
▸ CHRNA4 P43681 4/20 0.43
▸ CHRNB4 P30926 3/20 0.43
▸ CHRNA3 P32297 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CHRNA2 Q15822 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ PSIP1 O75475 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ CHRNA1 P02708 1/20 0.43
▸ CHRNG P07510 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CHRNB1 P11230 1/20 0.43

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 SCHEMBL27199866 1.00 BLM (0.46) BLMKDM4EALOX15CHRNA7CHRNB2
Salicylic Acid SCHEMBL27199863 0.87 KDM4E (0.41) BLMKDM4EALOX15CHRNA7CHRNB2
Salicylic Acid SCHEMBL31344273 0.87 KDM4E (0.41) BLMKDM4EALOX15CHRNA7CHRNB2
Benzoic Acid SCHEMBL31344149 0.86 BLM (0.49) BLMKDM4EALOX15CHRNA7CHRNB2
Benzoic Acid SCHEMBL27199891 0.86 BLM (0.49) BLMKDM4EALOX15CHRNA7CHRNB2
Acetic Acid SCHEMBL31344170 0.85 BLM (0.51) BLMKDM4EALOX15CHRNA7CHRNB2
Acetic Acid SCHEMBL27199847 0.85 BLM (0.51) BLMKDM4EALOX15CHRNA7CHRNB2
Salicylic Acid SCHEMBL27199940 0.84 GRM5 (0.40) BLMKDM4EALOX15CHRNA7CHRNB2
Salicylic Acid SCHEMBL31344155 0.84 GRM5 (0.40) BLMKDM4EALOX15CHRNA7CHRNB2
(+/-)Nicotine SCHEMBL790836 0.82 ALDH1A1 (0.68) BLMKDM4EALOX15CHRNA7CHRNB2

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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