SCHEMBL8630908

SCHEMBL8630908

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
ALDH1A1 P00352 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
EPHX2 P34913 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
KDM5A P29375 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
CES1 P23141 1/20 0.33
FFAR1 O14842 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
SCHEMBL8633387 0.86 CA12 (0.34) CA12CA9ALDH1A1
SCHEMBL498398 0.84 EPHX2 (0.41) CA1CA12CA9ALDH1A1MMP1
SCHEMBL8634809 0.81 CA12 (0.38) CA1CA12CA9ALDH1A1MMP1
SCHEMBL8634501 0.81 CA1 (0.38) CA1CA12CA9ALDH1A1MMP1
SCHEMBL7719432 0.81 CA1 (0.38) CA1CA12CA9ALDH1A1MMP1
SCHEMBL27737534 0.81 CA12 (0.38) CA1CA12CA9ALDH1A1MMP1
SCHEMBL498290 0.81 CA1 (0.38) CA1CA12CA9ALDH1A1MMP1
SCHEMBL30859297 0.79 CA12 (0.36) CA1CA12CA9ALDH1A1MMP1
SCHEMBL715425 0.79 CA12 (0.36) CA1CA12CA9ALDH1A1MMP1
SCHEMBL16297556 0.78 EPHX2 (0.47) CA1ALDH1A1EPHX2KDM5AKDM4C

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