SCHEMBL9078396

SCHEMBL9078396

COP(=O)(OC(=O)c1cccc(C=Cc2cccc(C(=O)O)c2)c1)OP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 6/20 0.47
UNG P13051 1/20 0.42
FBP1 P09467 1/20 0.42
P4HB P07237 5/20 0.40
SNCA P37840 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
BCHE P06276 1/20 0.37
SLC16A3 O15427 1/20 0.37

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
Phosphoric Acid Monomethyl Ester SCHEMBL9440794 0.84 TTR (0.59) TTRUNGFBP1P4HBSNCA
Phosphoric Acid Monomethyl Ester SCHEMBL9078394 0.84 TTR (0.59) TTRUNGFBP1P4HBSNCA
SCHEMBL9078010 0.82 XDH (0.42) FBP1PTPN1
SCHEMBL9078329 0.80 TTR (0.58) TTRUNGFBP1P4HBSNCA
SCHEMBL9078702 0.73 CA12 (0.34)
SCHEMBL808972 0.73 TTR (0.79) TTRUNGFBP1P4HBPLAU
SCHEMBL8899992 0.73 TTR (0.79) TTRUNGFBP1P4HBPLAU
SCHEMBL9075299 0.73 TTR (0.79) TTRUNGFBP1P4HBPLAU
SCHEMBL808971 0.73 TTR (0.79) TTRUNGFBP1P4HBPLAU
SCHEMBL9228913 0.73 UNG (0.40) TTRUNGFBP1P4HBGRIN2D

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-0519953-B1 ACYL PHOSPHATE ESTERS AND MODIFICATION OF PROTEINS THEREWITH UNIV TORONTO (CA) 1996-02-07 EP disclosed