SCHEMBL8634539

SCHEMBL8634539

CCCN(CCCO)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA9 Q16790 5/20 0.43
CA2 P00918 3/20 0.43
CA1 P00915 4/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8634317 0.93 CA12 (0.41) CA12CA9CA2CA1TSHR
SCHEMBL8631840 0.91 CA12 (0.50) CA12CA9CA2CA1TSHR
SCHEMBL8430870 0.91 USP2 (0.37) CA12CA9CA1ALDH1A1HPGD
SCHEMBL20261072 0.87 LMNA (0.48) CA12CA9CA2CA1TSHR
SCHEMBL25702791 0.87 LMNA (0.48) CA12CA9CA2CA1TSHR
SCHEMBL498627 0.86 CA12 (0.54) CA12CA9CA2CA1TSHR
SCHEMBL8630891 0.86 CA12 (0.46) CA12CA9CA2CA1TSHR
SCHEMBL483128 0.85 CA12 (0.55) CA12CA9CA2CA1TSHR
SCHEMBL8633186 0.84 CA12 (0.48) CA12CA9CA2CA1TSHR
SCHEMBL11506431 0.84 CA12 (0.46) CA12CA9CA2CA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5851274-A Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-12-22 US claimed
EP-0853108-A1 Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-07-15 EP claimed
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
US-5851274-A Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-12-22 US disclosed
EP-0853108-A1 Ink jet ink compositions and processes for high resolution and high speed printing XEROX CORPORATION (US) 1998-07-15 EP disclosed
EP-0853107-A1 Ink jet ink compositions comprising hydroxyamide derivatives and printing processes XEROX CORPORATION (US) 1998-07-15 EP disclosed
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 disclosed