Salicylic Acid

Salicylic Acid

SCHEMBL8420136

CCCCCCCCCCCCOS(=O)(=O)O.O=C(O)c1ccccc1O.[NaH]

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
S1PR3 known ✓ Q99500 1/20 0.50
NAAA Q02083 1/20 0.50
PTPN11 Q06124 3/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HMGB1 P09429 1/20 0.47
HPGD P15428 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP3A4 P08684 2/20 0.47

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 SCHEMBL8420138 0.86 TSHR (0.56) NAAAS1PR3PTPN11ALDH1A1LMNA
Salicylic Acid SCHEMBL27785968 0.83 ALDH1A1 (0.56) NAAAPTPN11ALDH1A1LMNATSHR
Dodecane SCHEMBL6692297 0.83 ALDH1A1 (0.69) NAAAALDH1A1LMNATSHRCA12
Salicylic Acid SCHEMBL28366261 0.83 ALDH1A1 (0.69) NAAAALDH1A1LMNATSHRCA12
Hexadecane SCHEMBL28225619 0.83 ALDH1A1 (0.69) NAAAALDH1A1LMNATSHRCA12
Salicylic Acid SCHEMBL31518812 0.82 KMT2A (0.65) NAAAS1PR3PTPN11ALDH1A1LMNA
Salicylic Acid SCHEMBL31518811 0.82 KMT2A (0.65) NAAAS1PR3PTPN11ALDH1A1LMNA
Phenol SCHEMBL887910 0.82 NR5A1 (0.49) S1PR3ALDH1A1LMNATSHRCA12
Phenol SCHEMBL3339766 0.82 NR5A1 (0.49) S1PR3ALDH1A1LMNATSHRCA12
Phenol SCHEMBL3339716 0.82 NR5A1 (0.49) S1PR3ALDH1A1LMNATSHRCA12

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-5980921-A A WATER-IN-OIL EMULSION COMPRISING CYCLOMETHICONE, DIMETHICONE, NIACINAMIDE, PANTOTHENIC ACID, GLYCERIN, POLYDIMETHYLSILOXANE, A PIGMENT AND WATER; PROTECTIVE COLLOIDS THE PROCTER & GAMBLE COMPANY (US) 1999-11-09 US disclosed