SCHEMBL29328610

SCHEMBL29328610

CCOC(=O)CCCn1nc2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TOP2A P11388 2/20 0.51
FAAH O00519 4/20 0.50
TNF P01375 2/20 0.50
PTGDR2 Q9Y5Y4 3/20 0.49
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PDE5A O76074 1/20 0.48
LMNA P02545 1/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
MAPT P10636 2/20 0.47

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
SCHEMBL23880030 0.91 ALDH1A1 (0.54) TOP2AFAAHPTGDR2ALDH1A1LMNA
SCHEMBL22965268 0.86 TNF (0.46) GAATNFALDH1A1LMNAMAPT
SCHEMBL29328629 0.85 GAA (0.46) GAATOP2AFAAHTNFPTGDR2
SCHEMBL23880027 0.82 GAA (0.52) GAATOP2AALDH1A1LMNAMAPT
SCHEMBL6962065 0.81 ALDH1A1 (0.57) GAAALDH1A1
SCHEMBL8112625 0.80 FAAH (0.64) GAAFAAHALDH1A1CYP4F2CYP4A11
SCHEMBL23880045 0.80 LMNA (0.54) GAAALDH1A1LMNAMAPT
SCHEMBL25588389 0.80 LMNA (0.54) GAAALDH1A1LMNAMAPT
SCHEMBL8103726 0.80 FAAH (0.64) GAAFAAHALDH1A1CYP4F2CYP4A11
SCHEMBL25588398 0.80 LMNA (0.54) GAAALDH1A1LMNAMAPT

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-4234609-B1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS POLYPLUS TRANSFECTION (FR) 2024-07-17 EP disclosed