SCHEMBL5820848

SCHEMBL5820848

C=CC(=O)NC[N+](C)(C)C(CCC)(C(=O)[O-])N(C)C

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10340646 0.74 BBOX1 (0.39)
SCHEMBL176115 0.68 ZDHHC20 (0.34) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Chloromethane SCHEMBL28028247 0.65 ZDHHC20 (0.44) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL29142619 0.65 ZDHHC20 (0.53) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL19302827 0.65 TSHR (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Acrylic Acid SCHEMBL396773 0.65 ZDHHC20 (0.41) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL1061439 0.65 ALDH1A1 (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL9275326 0.65 BBOX1 (0.37)
SCHEMBL4126549 0.65 ZDHHC20 (0.47) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL9451758 0.64 TSHR (0.48) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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
WO-2006136262-A1 CORROSION INHIBITOR FOR ACIDS KAO CORPORATION, S.A. (ES) 2006-12-28 WO disclosed