SCHEMBL9702994

SCHEMBL9702994

O=P(O)(O)C(CO)C(CO)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MMP2 P08253 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TYMS P04818 1/20 0.37
ANPEP P15144 4/20 0.36
ERAP2 Q6P179 1/20 0.36
LAP3 P28838 3/20 0.35
FDPS P14324 2/20 0.35
FOLH1 Q04609 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGK1 P00558 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
SCHEMBL8170675 0.73 KDM4E (0.37) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL19212095 0.73 KDM4E (0.37) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL9001049 0.71
SCHEMBL2787540 0.71 GABBR2 (0.46) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL3904202 0.71 FDPS (0.48) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL56898 0.71 FDPS (0.48) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL250731 0.71 GABBR2 (0.40) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL7162845 0.69 ANPEP (0.42) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL19212007 0.69 LAP3 (0.46) KDM4EMMP2THRBMAPK1HSD17B10
SCHEMBL3806259 0.69

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
EP-0491391-A1 Water treatment agent ALBRIGHT & WILSON UK LIMITED (GB) 1992-06-24 EP claimed