SCHEMBL9848828

SCHEMBL9848828

CCC/C=C(\C)C(=O)ON(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL516388 1.00 CYP2D6 (0.32) CYP2D6CYP2C19
SCHEMBL15664748 0.89 EP300 (0.35) CYP2D6CYP2C19
SCHEMBL27788902 0.87 EP300 (0.42) CYP2C19
SCHEMBL10951231 0.86 EP300 (0.44) CYP2C19
SCHEMBL27788835 0.86 EP300 (0.44) CYP2C19
SCHEMBL27487718 0.86 EP300 (0.44) CYP2C19
SCHEMBL27748634 0.86 EP300 (0.44) CYP2C19
SCHEMBL27810702 0.86 EP300 (0.44) CYP2C19
SCHEMBL1155707 0.84
SCHEMBL515572 0.84

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-0428970-A1 Process for preparing aqueous solutions or suspensions of quaternization products of tertiary aminoalkylesters or tertiary aminoalkylamides of acrylic or methacrylic acid, for instance of dimethylaminoethyl-acrylate-methochloride BASF Aktiengesellschaft (DE) 1991-05-29 EP disclosed