SCHEMBL22667804

SCHEMBL22667804

COCCOCCn1cc[n+](CCCCCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBXAS1 P24557 3/20 0.35
FDPS P14324 15/20 0.35

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
SCHEMBL32666217 0.95 MEN1 (0.39) ALDH1A1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL18307196 0.84 MEN1 (0.49) MEN1HSP90AA1KMT2ASMN1; SMN2TBXAS1
SCHEMBL22667746 0.84 MEN1 (0.38) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL13385218 0.83 MEN1 (0.35) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Acetic Acid SCHEMBL15575927 0.81 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL9959711 0.80 MEN1 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL4905000 0.80 MEN1 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL16696549 0.80 MEN1 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL16696565 0.80 MEN1 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL16696567 0.80 MEN1 (0.34) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS

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
WO-2020230721-A1 UNDIFFERENTIATION PROMOTER AND CRYOPROTECTIVE AGENT USING APROTONIC DIPOLAR ION 国立研究開発法人科学技術振興機構 2020-11-19 WO disclosed