SCHEMBL9133209

SCHEMBL9133209

CCCCCCCCCCCCCCCCCCC1=NCCN1CC(C)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL9130228 1.00 SCD (0.32) SCDMEN1KMT2A
SCHEMBL9130756 1.00 SCD (0.32) SCDMEN1KMT2A
SCHEMBL9240893 1.00 SCD (0.32) SCDMEN1KMT2A
SCHEMBL9130857 0.92 EPHX2 (0.34)
SCHEMBL9130850 0.92 EPHX2 (0.34)
SCHEMBL28096647 0.89 SCD (0.33) SCDMEN1KMT2A
SCHEMBL9170702 0.85 ADA (0.36)
SCHEMBL9161023 0.85 ADA (0.36)
SCHEMBL9172818 0.85 ADA (0.36)
SCHEMBL9163324 0.85 ADA (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684223-A1 Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-29 EP disclosed
US-5463094-A Solvent free quaternization of tertiary amines with dimethylsulfate HOECHST CELANESE CORPORATION (US) 1995-10-31 US disclosed