SCHEMBL28637833

SCHEMBL28637833

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
BHMT Q93088 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL3762565 0.91 TSHR (0.50) TSHRALDH1A1TDP1LMNA
SCHEMBL28770363 0.81 FOLH1 (0.38) TSHRALDH1A1CACNA2D1CACNB3CACNA1C
SCHEMBL258152 0.80 SLC22A6 (0.50) TSHRALDH1A1BHMTSLC22A6CACNA2D1
SCHEMBL4902592 0.79
SCHEMBL23728365 0.77
Ethane SCHEMBL5968227 0.77 SLC22A6 (0.47) ALDH1A1BHMTSLC22A6CACNA2D1CACNB3
Ammonia Solution, Strong SCHEMBL28582304 0.77 TDP1 (0.53) ALDH1A1BHMTSLC22A6CACNA2D1CACNB3
SCHEMBL10902055 0.77 SLC22A6 (0.47) ALDH1A1BHMTSLC22A6CACNA2D1CACNB3
SCHEMBL11112412 0.77 SLC22A6 (0.47) ALDH1A1BHMTSLC22A6CACNA2D1CACNB3
SCHEMBL14109598 0.77 SLC22A6 (0.47) ALDH1A1BHMTSLC22A6CACNA2D1CACNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110249000-B Resin composition, molded body, laminate, gas barrier material, coating material, and adhesive DIC株式会社 2022-07-08 CN disclosed
CN-109320914-B Molding material, sheet molding material, block molding material, and fiber-reinforced composite material 三菱化学株式会社 2021-09-21 CN disclosed