Stearic Acid

Stearic Acid

SCHEMBL518158

CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].O=S(=O)(O)O.[Mg+2]

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Stearic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 1/20 0.72
ADRB2 P07550 10/20 0.62
ADRB1 P08588 3/20 0.62
HIF1A Q16665 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRB3 P13945 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
Stearic Acid SCHEMBL518159 0.90 PMP22 (0.73) PMP22ADRB2ADRB1HIF1ACYP1A2
Stearic Acid SCHEMBL5145217 0.86 ADRB2 (0.70) PMP22ADRB2ADRB1HIF1ACYP1A2
Albuterol SCHEMBL7775807 0.86 ADRB2 (0.70) PMP22ADRB2ADRB1HIF1ACYP1A2
Albuterol SCHEMBL7778379 0.86 ADRB2 (0.70) PMP22ADRB2ADRB1HIF1ACYP1A2
Albuterol SCHEMBL2405201 0.85 PMP22 (1.00) PMP22ADRB2ADRB1HIF1ACYP1A2
Albuterol SCHEMBL2556890 0.85 PMP22 (1.00) PMP22ADRB2ADRB1HIF1ACYP1A2
Levosalbutamol SCHEMBL33281 0.85 PMP22 (1.00) PMP22ADRB2ADRB1HIF1ACYP1A2
Albuterol SCHEMBL33279 0.85 PMP22 (1.00) PMP22ADRB2ADRB1HIF1ACYP1A2
Albuterol SCHEMBL33280 0.85 PMP22 (1.00) PMP22ADRB2ADRB1HIF1ACYP1A2
Albuterol SCHEMBL15995296 0.84 PMP22 (0.97) PMP22ADRB2ADRB1HIF1ACYP1A2

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1920763-B2 Pharmaceutical compositions for inhalation VECTURA LTD (GB) 2022-06-15 EP disclosed
US-10449161-B2 Pharmaceutical compositions for inhalation VECTURA LIMITED (GB) 2019-10-22 US disclosed
US-10238601-B2 Particles for use in a pharmaceutical composition VECTURA LIMITED (GB) 2019-03-26 US disclosed
US-10188612-B2 Pharmaceutical compositions for inhalation VECTURA LIMITED (GB) 2019-01-29 US disclosed
EP-2298279-B1 Pharmaceutical compositions for inhalation VECTURA LTD (GB) 2018-11-14 EP disclosed
EP-2168571-B1 Particles for use in a Pharmaceutical Composition VECTURA LTD (GB) 2018-08-22 EP disclosed
US-20170216202-A1 PARTICLES FOR USE IN A PHARMACEUTICAL COMPOSITION VECTURA LTD (GB) 2017-08-03 US disclosed
US-20170172947-A1 PHARMACEUTICAL COMPOSITIONS FOR INHALATION VECTURA LTD (GB) 2017-06-22 US disclosed
US-9585839-B2 Particles for use in a pharmaceutical composition VECTURA LIMITED (GB) 2017-03-07 US disclosed
EP-1337239-B2 PARTICLES FOR USE IN A PHARMACEUTICAL COMPOSITION VECTURA LTD (GB) 2015-11-25 EP disclosed
EP-2168571-A2 Particles for use in a Pharmaceutical Composition Vectura Limited (GB) 2010-03-31 EP disclosed
EP-1337239-B1 PARTICLES FOR USE IN A PHARMACEUTICAL COMPOSITION VECTURA LTD (GB) 2009-10-21 EP disclosed
EP-1920763-A1 Pharmaceutical compositions for inhalation Vectura Limited (GB) 2008-05-14 EP disclosed
EP-1337241-B1 METHOD OF PREPARING MICROPARTICLES FOR USE IN PHARMACEUTICAL COMPOSITIONS FOR INHALATION VECTURA LTD (GB) 2008-01-02 EP disclosed
US-20040071635-A1 Particles for use in a pharmaceutical composition VECTURA GROUP PLC (GB) 2004-04-15 US disclosed
US-20040047810-A1 Microparticles for use in a pharmaceutical composition for pulmonary administration, each microparticle comprising a particle of an active substance having, on its surface, particles of a hydrophobic material suitable for delaying the VECTURA GROUP PLC (GB) 2004-03-11 US disclosed
EP-1337239-A2 PARTICLES FOR USE IN A PHARMACEUTICAL COMPOSITION Vectura Limited (GB) 2003-08-27 EP disclosed
EP-1337241-A2 PHARMACEUTICAL COMPOSITIONS FOR INHALATION Vectura Limited (GB) 2003-08-27 EP disclosed
WO-2002043700-A2 PARTICLES FOR USE IN A PHARMACEUTICAL COMPOSITION VECTURA LIMITED (GB) 2002-06-06 WO disclosed
WO-2002043702-A2 PHARMACEUTICAL COMPOSITIONS FOR INHALATION VECTURA LIMITED (GB) 2002-06-06 WO disclosed