SCHEMBL26078279

SCHEMBL26078279

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ SLC1A1 P43005 1/20 0.33
▸ CYP1A2 P05177 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
▸ SLC7A5 Q01650 1/20 0.32
▸ CPB2 Q96IY4 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
SCHEMBL18560732 0.84 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1CACNA2D1CACNB3
SCHEMBL26364462 0.84 FOLH1 (0.39) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL16542382 0.83 ALDH1A1 (0.47) CYP1A2
SCHEMBL14586063 0.80 NAAA (0.48) —
SCHEMBL19407083 0.79 GAA (0.40) —
SCHEMBL18560734 0.79 TSHR (0.34) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL22238280 0.77 TSHR (0.36) SLC1A3SLC1A2SLC1A1SLC7A5
SCHEMBL20747281 0.76 CYP1A2 (0.38) CYP1A2CPB2
SCHEMBL17852291 0.76 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1CACNA2D1CACNB3
SCHEMBL14391440 0.76 CYP1A2 (0.40) CYP1A2CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4253434-A1 SUBSTRATE, AND PREPARATION METHOD THEREFOR AND USE OF SUBSTRATE GeneMind Biosciences Company Limited (CN) 2023-10-04 — — EP disclosed
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