SCHEMBL21986648

SCHEMBL21986648

CC=CCC(CC)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
CACNA2D1 P54289 2/20 0.36
CACNB3 P54284 1/20 0.36
CACNA1C Q13936 1/20 0.36
PGR P06401 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CACNA2D2 Q9NY47 1/20 0.36
HDAC2 Q92769 2/20 0.33
FFAR3 O14843 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CMKLR1 Q99788 1/20 0.33
MAPT P10636 2/20 0.32
FFAR1 O14842 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
Glycolic Acid SCHEMBL7719290 0.85 GRIK1 (0.43) GRIK1GRIK2PGRHDAC2FFAR3
SCHEMBL28593376 0.83 GRIK1 (0.38) GRIK1GRIK2CACNA2D1CACNB3CACNA1C
SCHEMBL28609927 0.83 GRIK1 (0.38) GRIK1GRIK2CACNA2D1CACNB3CACNA1C
SCHEMBL13357642 0.83 ALDH1A1 (0.37) GRIK1GRIK2ALDH1A1TDP1CTSK
SCHEMBL26634688 0.82 CACNA2D1 (0.39) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL14543869 0.81 GRIK1 (0.35) GRIK1GRIK2
SCHEMBL276400 0.81
SCHEMBL21518659 0.79 CYP3A4 (0.35) GRIK1GRIK2ALDH1A1TDP1CYP1A2
SCHEMBL22179766 0.78
SCHEMBL11761433 0.78 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655360-B2 Gas-barrier resin composition and use thereof SHOWA DENKO K.K. (JP) 2023-05-23 US disclosed
CN-110799600-B Gas barrier resin composition and use thereof 昭和电工株式会社 2022-06-21 CN disclosed
US-20210147669-A1 GAS-BARRIER RESIN COMPOSITION AND USE THEREOF SHOWA DENKO K.K. (JP) 2021-05-20 US disclosed
EP-3660105-A1 GAS-BARRIER RESIN COMPOSITION AND USE THEREOF Showa Denko K.K. (JP) 2020-06-03 EP disclosed
CN-110799600-A Gas barrier resin composition and use thereof 昭和电工株式会社 2020-02-14 CN disclosed