SCHEMBL3686597

SCHEMBL3686597

CC(C)CC(C(N)=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 1/20 0.43
SLC7A5 Q01650 1/20 0.42
ECE1 P42892 2/20 0.38
RNPEP Q9H4A4 1/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
ANPEP P15144 4/20 0.36
LAP3 P28838 2/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MMP1 P03956 1/20 0.33

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
SCHEMBL15980616 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1SLC7A5ECE1
SCHEMBL15980617 1.00 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1SLC7A5ECE1
SCHEMBL8890063 0.80 SLC7A5 (0.39) SLC1A3SLC1A2SLC7A5RNPEPCACNA2D1
SCHEMBL14261122 0.80 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1SLC7A5ECE1
SCHEMBL18594556 0.80 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1SLC7A5ECE1
SCHEMBL8871238 0.78 SLC7A5 (0.48) SLC1A3SLC1A2SLC1A1SLC7A5RNPEP
SCHEMBL12015470 0.78 ACE (0.38) SLC1A3SLC1A2SLC7A5RNPEPCACNA2D1
SCHEMBL666505 0.78 SLC7A5 (0.48) SLC1A3SLC1A2SLC1A1SLC7A5RNPEP
SCHEMBL664075 0.78 SLC7A5 (0.48) SLC1A3SLC1A2SLC1A1SLC7A5RNPEP
SCHEMBL3872939 0.78 SLC7A5 (0.48) SLC1A3SLC1A2SLC1A1SLC7A5RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761238-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME Takasago International Corporation (JP) 2007-03-14 EP claimed
WO-2005115325-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-12-08 WO claimed
EP-3632944-B1 POLYMERS AND DNA COPOLYMER COATINGS ILLUMINA CAMBRIDGE LTD (GB) 2021-12-01 EP disclosed
US-20210364524-A1 KIT FOR MEASURING MEASUREMENT TARGET SUBSTANCE AND METHOD FOR MEASURING MEASUREMENT TARGET SUBSTANCE FUJIFILM CORPORATION (JP) 2021-11-25 US disclosed
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
US-20210181631-A1 PLANOGRAPHIC PRINTING PLATE PRECURSOR, METHOD OF PREPARING PLANOGRAPHIC PRINTING PLATE, PLANOGRAPHIC PRINTING METHOD, AND CURABLE COMPOSITION FUJIFILM CORPORATION (JP) 2021-06-17 US disclosed
WO-2020137919-A1 PHOTOSENSITIVE COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE, AND LITHOGRAPHIC PRINTING METHOD 富士フイルム株式会社 2020-07-02 WO disclosed
WO-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed
US-10184052-B2 Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor FUJIFILM CORPORATION (JP) 2019-01-22 US disclosed
US-9826129-B2 Near-infrared-ray-absorbing composition, near-infrared-ray cut filter using same, manufacturing method therefor, camera module, and manufacturing method therefor FUJIFILM CORPORATION (JP) 2017-11-21 US disclosed
US-20170253785-A1 Composition Including Viscosifier Polymer And Polyamine Viscosity Modifier For Treatment Of Subterranean Formations HALLIBURTON ENERGY SERVICES, INC. (US) 2017-09-07 US disclosed
EP-1902043-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME Takasago International Corporation (JP) 2008-03-26 EP disclosed
US-20070205156-A1 Novel ion exchange porous resins for solid phase extraction and chromatography WATERS INVESTMENTS LIMITED (US) 2007-09-06 US disclosed
US-20070205156-A1 Novel ion exchange porous resins for solid phase extraction and chromatography WATERS INVESTMENTS LIMITED (US) 2007-09-06 US disclosed
US-7232520-B1 Ion exchange porous resins for solid phase extraction and chromatography WATERS INVESTMENTS LIMITED (US) 2007-06-19 US disclosed
EP-1761238-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME Takasago International Corporation (JP) 2007-03-14 EP disclosed
WO-2007004740-A1 VANILLIN ACETALS AND SENSORY STIMULANT COMPOSITION CONTAINING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-01-11 WO disclosed
WO-2005115325-A1 MENTHOL DERIVATIVE AND COOLING AGENT COMPOSITION COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-12-08 WO disclosed
EP-1383771-A1 9-DEAZAGUANINE DERIVATIVES AS INHIBITORS OF GSK-3 Vertex Pharmaceuticals Incorporated (US) 2004-01-28 EP disclosed
WO-2002085909-A1 9-DEAZAGUANINE DERIVATIVES AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-31 WO disclosed