SCHEMBL8633128

SCHEMBL8633128

CC(O)NP(C)(=O)NC(C)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.33
ALDH1A1 P00352 1/20 0.33
BCHE P06276 1/20 0.33
HIF1A Q16665 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL193433 0.75
SCHEMBL16177833 0.75 MMP1 (0.36) CA2ALDH1A1BCHEHIF1ACA12
SCHEMBL22300378 0.69 TP53 (0.36) CA2ALDH1A1CA12CA1MMP1
SCHEMBL22820231 0.66 CA14 (0.46) CA2ALDH1A1BCHEHIF1ACA12
SCHEMBL13109822 0.65
SCHEMBL1085929 0.65
SCHEMBL13109819 0.65
Phosphoric Acid SCHEMBL1831511 0.65 MMP1 (0.38) CA2ALDH1A1CA12CA1MMP1
Phosphoric Acid SCHEMBL1830646 0.65 MMP8 (0.38) CA2ALDH1A1CA12CA1MMP1
SCHEMBL5962279 0.62

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
US-5854337-A Aqueous binder dispersion for physically drying coating agents and their use HERBERTS GESELLSCHAFT MIT BESHRANKTER HAFTUNG (DE) 1998-12-29 US disclosed