SCHEMBL10340646

SCHEMBL10340646

CCCC(C(=O)[O-])(N(C)C)[N+](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 5/20 0.39
FFAR3 O14843 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 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
SCHEMBL2923879 0.85 CES2 (0.38)
SCHEMBL2921196 0.85 CES2 (0.38)
Acetic Acid SCHEMBL13835081 0.81 CES2 (0.35)
SCHEMBL3903140 0.79 ODC1 (0.32)
SCHEMBL4126709 0.77 BBOX1 (0.36) BBOX1
SCHEMBL5820848 0.74 ZDHHC20 (0.36)
SCHEMBL4131420 0.72 CES2 (0.31)
SCHEMBL9275326 0.72 BBOX1 (0.37) BBOX1
SCHEMBL17817749 0.70 BBOX1 (0.33) BBOX1FFAR3HDAC3HDAC1HDAC2
Acetic Acid SCHEMBL3459099 0.68 BBOX1 (0.34) BBOX1

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-0354011-A1 Fabric conditioners Albright & Wilson Limited (GB) 1990-02-07 EP disclosed