Salicylic Acid

Salicylic Acid

SCHEMBL5551628

NCCCCNCCCO.O=C(O)c1ccccc1O

nearest known ligand 0.51

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
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ HMGB1 P09429 1/20 0.51
▸ CA4 P22748 1/20 0.51
▸ CA6 P23280 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ NAPRT Q6XQN6 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ HTT P42858 2/20 0.47
▸ GRIN1 Q05586 9/20 0.43
▸ GRIN2A Q12879 9/20 0.43
▸ GRIN2B Q13224 9/20 0.43
▸ NAAA Q02083 1/20 0.40
▸ NPC1 O15118 1/20 0.40

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
Phthalic Acid SCHEMBL5551574 0.91 HTT (0.51) ALDH1A1HTTGRIN1GRIN2AGRIN2B
SCHEMBL5551164 0.86 HTT (0.47) HTTGRIN1GRIN2AGRIN2BNPC1
Salicylic Acid SCHEMBL28715028 0.85 ALDH1A1 (0.62) ALDH1A1HPGDKDM4ECA12CA1
SCHEMBL5547296 0.84 ALDH1A1 (0.53) ALDH1A1HPGDHTTGRIN1GRIN2A
SCHEMBL5552754 0.84 HTT (0.44) CA12CA1CA2HMGB1CA4
Benzoic Acid SCHEMBL5547336 0.82 GRIN1 (0.47) NAPRTHTTGRIN1GRIN2AGRIN2B
Salicylic Acid SCHEMBL8016662 0.81 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ECA12CA1
Salicylic Acid SCHEMBL1835140 0.81 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ECA12CA1
Salicylic Acid SCHEMBL5195824 0.81 KDM4E (0.72) ALDH1A1HPGDKDM4ECA12CA1
Salicylic Acid SCHEMBL4464042 0.81 KDM4E (0.72) ALDH1A1HPGDKDM4ECA12CA1

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
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 — — US claimed
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