SCHEMBL8633387

SCHEMBL8633387

CCCN(C(C)=O)C(C)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
FDPS P14324 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 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
SCHEMBL8630908 0.86 CA1 (0.39) CA12CA9ALDH1A1
SCHEMBL497808 0.83 CA12 (0.36) CA12CA2CA9TSHRMAPK1
SCHEMBL10887430 0.81 MAPT (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL177795 0.80
SCHEMBL497599 0.79 CA12 (0.33) CA12CA2CA9TSHRMAPK1
SCHEMBL20869951 0.79 CA12 (0.33) CA12CA2CA9TSHRMAPK1
SCHEMBL8634541 0.79 CA12 (0.33) CA12CA2CA9TSHRMAPK1
SCHEMBL8636212 0.79 CHRM1 (0.36) CA12CA2CA9TSHRMAPK1
SCHEMBL8459820 0.77 CA12 (0.32) CA12CA2CA9TSHRMAPK1
SCHEMBL15126410 0.77 TDP1 (0.34) CA12CA2CA9TSHRMAPK1

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-0853107-A1 Ink jet ink compositions comprising hydroxyamide derivatives and printing processes XEROX CORPORATION (US) 1998-07-15 EP claimed
US-5693129-A AQUEOUS MIXCTURE CONTAINING COLORING AND A HYDROXYAMIDE, THIOAMIDE, MERCAPTOAMIDE, MERCAPTOTHIOAMIDE OR AN OXYALKYLENE OR A THIOALKYLENE REACTION PRODUCT OF THE AMIDES, FOR HIGH RESOLUTION, REDUCED CURLING XEROX CORPORATION (US) 1997-12-02 US claimed