Salicylic Acid

Salicylic Acid

SCHEMBL6896514

N[C@@H](CS)C(=O)O.O=C(O)c1ccccc1O

nearest known ligand 0.60

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 9/20 0.60
KDM4E B2RXH2 8/20 0.60
HPGD P15428 7/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
HMGB1 P09429 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA7 P43166 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CA9 Q16790 1/20 0.60
NAPRT Q6XQN6 1/20 0.60
CA14 Q9ULX7 1/20 0.60
PTGS1 P23219 2/20 0.53
SLC7A11 Q9UPY5 1/20 0.53
TDP1 Q9NUW8 4/20 0.49
HIF1A Q16665 1/20 0.49
G6PD P11413 1/20 0.44
CASP7 P55210 1/20 0.44

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 SCHEMBL6896510 1.00 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDCA12CA1
Salicylic Acid SCHEMBL14483709 0.91 KDM4E (0.50) ALDH1A1KDM4EHPGDCA12CA1
Salicylic Acid SCHEMBL7776900 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDCA12CA1
Thiosalicylic Acid SCHEMBL11202067 0.85 MAPT (0.66) ALDH1A1KDM4EPTGS1SLC7A11TDP1
Salicylic Acid SCHEMBL28318137 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDCA12CA1
Cysteine SCHEMBL8640367 0.82 PTGS1 (0.52) ALDH1A1CA12CA1CA2CA4
Dl-Phenylalanine SCHEMBL28650247 0.82 SLC7A5 (0.71) ALDH1A1KDM4EHPGDCA12CA1
Cysteine SCHEMBL8640370 0.82 PTGS1 (0.52) ALDH1A1CA12CA1CA2CA4
SCHEMBL8411467 0.81 KDM4E (0.48) ALDH1A1KDM4EHPGDCA12CA1
SCHEMBL10824784 0.81 KDM4E (0.48) ALDH1A1KDM4EHPGDCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 WO claimed
EP-0936899-A4 COSMETIC COMPOSITIONS PROCTER & GAMBLE (US) 2002-01-02 EP claimed
US-6267978-B1 COSMETIC FOR REGULATION OF THE OILY AND/OR SHINY APPEARANCE OF SKIN THE PROCTER & GAMBLE COMPANY 2001-07-31 US claimed
US-6143310-A WATER IN OIL EMULSION CONTAINING AMINO ACID SALT OF SALICYLIC ACID THE PROCTER & GAMBLE COMPANY (US) 2000-11-07 US claimed
EP-0936899-A1 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-08-25 EP claimed
WO-1998010741-A1 COSMETIC COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-03-19 WO claimed