SCHEMBL8634501

SCHEMBL8634501

CCCCN(C(C)=O)C(O)CC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
CA2 P00918 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
GPR84 Q9NQS5 2/20 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
SCHEMBL8634809 0.88 CA12 (0.38) CA1CA12CA9ALDH1A1MMP1
SCHEMBL8634541 0.87 CA12 (0.33) CA12CA9CA2MAPK1
SCHEMBL16197623 0.83 CA12 (0.38) CA1CA12CA9MMP1MMP2
SCHEMBL22841410 0.81 PAOX (0.42) KDM5AKDM4C
SCHEMBL8630908 0.81 CA1 (0.39) CA1CA12CA9ALDH1A1MMP1
SCHEMBL498290 0.79 CA1 (0.38) CA1CA12CA9ALDH1A1MMP1
SCHEMBL498398 0.78 EPHX2 (0.41) CA1CA12CA9ALDH1A1MMP1
SCHEMBL8633060 0.78 CHRM1 (0.33) ALDH1A1
SCHEMBL27333933 0.75 CA1 (0.38) CA1CA12CA9ALDH1A1MMP1
SCHEMBL8598812 0.75 CA1 (0.38) CA1CA12CA9ALDH1A1MMP1

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 4 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
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