SCHEMBL5593740

SCHEMBL5593740

CC(C)/C=C\CC(C)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BHMT Q93088 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ CACNA2D1 P54289 2/20 0.32
▸ CACNB3 P54284 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ CACNA2D2 Q9NY47 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL5593576 1.00 BHMT (0.34) BHMTSLC22A6HDAC2CACNA2D1CACNB3
SCHEMBL22501416 1.00 BHMT (0.34) BHMTSLC22A6HDAC2CACNA2D1CACNB3
SCHEMBL21986677 0.80 GRIK1 (0.41) BHMTSLC22A6HDAC2CACNA2D1CACNB3
SCHEMBL10299824 0.80 CACNA2D1 (0.38) BHMTSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL11855406 0.78 TSHR (0.39) BHMTSLC22A6TDP1ALDH1A1
SCHEMBL29107159 0.78 ALDH1A1 (0.52) BHMTSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL5379672 0.78 FFAR1 (0.35) BHMTSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL11855398 0.78 TSHR (0.39) BHMTSLC22A6TDP1ALDH1A1
SCHEMBL5379668 0.78 FFAR1 (0.35) BHMTSLC22A6CACNA2D1CACNB3CACNA1C
SCHEMBL28561789 0.78 GRIK1 (0.43) BHMTSLC22A6TDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519403-A1 A FRAGRANCE MIXTURE (V) Symrise AG (DE) 2025-03-12 — — EP disclosed
WO-2023213386-A1 A FRAGRANCE MIXTURE (V) SYMRISE AG (DE) 2023-11-09 — — WO disclosed
JP-2007297286-A 3,7-DIMETHYL-5-OCTENOIC ACID AND ITS DERIVATIVE AND PERFUME COMPOSITION CONTAINING THOSE SHIONO KORYO KK 2007-11-15 — — JP disclosed
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