SCHEMBL4629779

SCHEMBL4629779

C=C(C)C(=O)NC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
CA12 O43570 4/20 0.37
MMP2 P08253 3/20 0.37
CA14 Q9ULX7 1/20 0.37
CA1 P00915 3/20 0.33
MMP8 P22894 3/20 0.33
CA2 P00918 2/20 0.33
MMP1 P03956 2/20 0.33
CA9 Q16790 2/20 0.33
MMP9 P14780 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LAP3 P28838 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
FDPS P14324 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL976101 0.80 TGFBR1 (0.42) TGFBR1CA12MMP2CA1MMP8
SCHEMBL94755 0.77 TGFBR1 (0.40) TGFBR1CA12MMP2CA1MMP8
SCHEMBL14368418 0.77 TGFBR1 (0.44) TGFBR1CA12MMP2CA1MMP8
SCHEMBL8336668 0.75 CA12 (0.42) CA12MMP2CA14CA1MMP8
SCHEMBL4532225 0.75 TGFBR1 (0.39) TGFBR1
SCHEMBL6027638 0.75 TGFBR1 (0.39) TGFBR1CA12MMP2CA1MMP8
SCHEMBL1409013 0.75 TGFBR1 (0.43) TGFBR1CA12MMP2CA1MMP8
SCHEMBL15032661 0.74 TGFBR1 (0.42) TGFBR1CA12MMP2CA1MMP8
Phosphoric Acid SCHEMBL10429681 0.73 MMP2 (0.42) TGFBR1MMP2MMP8RXFP1ALDH1A1
SCHEMBL4187674 0.72 FDPS (0.41) TGFBR1CA12MMP2CA1MMP8

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-1675880-B1 METHOD FOR PARTIAL OR TOTAL OXIDATION OF ONE OR SEVERAL THIOCARBONYLTHIO ENDS OF A POLYMER OBTAINED BY RADICAL POLYMERISATION CONTROLLED BY REVERSIBLE ADDITION-CLEAVAGE RHODIA CHIMIE SA (FR) 2019-03-13 EP claimed
EP-1483344-B1 USE OF BLOCK COPOLYMERS BEARING PHOSPHATE AND/OR PHOSPHONATE FUNCTIONS AS ADHESION PROMOTERS OR AS PROTECTING AGENTS AGAINST THE CORROSION OF A METALLIC SURFACE RHODIA CHIMIE SA (FR) 2008-08-06 EP claimed
EP-1483341-B1 USE OF BLOCK COPOLYMERS BEARING PHOSPHONATE FUNCTIONS AS ADHESION PROMOTERS OR AS PROTECTING AGENTS AGAINST THE CORROSION OF A METALLIC SURFACE RHODIA CHIMIE SA (FR) 2008-05-07 EP claimed
US-8367748-B2 Surface-modified fillers IVOCLAR VIVADENT AG (LI) 2013-02-05 US disclosed