SCHEMBL28627233

SCHEMBL28627233

O=C(O)C(Cl)C=CCC(Cl)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10337813 0.74 ALDH1A1 (0.50) LMNAALDH1A1
SCHEMBL10880039 0.74 ALDH1A1 (0.50) LMNAALDH1A1
SCHEMBL28613782 0.74 LMNA (0.50) LMNAALDH1A1
SCHEMBL3638948 0.70
SCHEMBL474965 0.69
SCHEMBL474963 0.69
SCHEMBL11483449 0.69 LMNA (0.38) LMNAALDH1A1
SCHEMBL8469718 0.67
SCHEMBL28186790 0.65
SCHEMBL11011947 0.65 GRIK1 (0.47) LMNAALDH1A1

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
CN-113185422-A Preparation method of tetra-ester type gemini quaternary ammonium salt leather sterilization mildew inhibitor 四川大学 2021-07-30 CN disclosed