SCHEMBL9075940

SCHEMBL9075940

COP(=O)(O)OC.COP(=O)(O)OC.O=C(O)c1ccc(C=Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.51
ALDH1A1 P00352 3/20 0.47
FBP1 P09467 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RARA P10276 2/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
TDP1 Q9NUW8 2/20 0.44
HDAC1 Q13547 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
APP P05067 1/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
CXCL12 P48061 1/20 0.42
CYP3A4 P08684 2/20 0.42
MAPT P10636 2/20 0.42

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 SCHEMBL9078007 0.91 XDH (0.53) XDHALDH1A1FBP1CA1CA2
Phosphoric Acid Monomethyl Ester SCHEMBL9440650 0.91 XDH (0.53) XDHALDH1A1FBP1CA1CA2
SCHEMBL9339856 0.80 ALDH1A1 (0.68) XDHALDH1A1FBP1CA1CA2
SCHEMBL69167 0.80 ALDH1A1 (0.68) XDHALDH1A1FBP1CA1CA2
SCHEMBL2126364 0.80 ALDH1A1 (0.68) XDHALDH1A1FBP1CA1CA2
SCHEMBL9681086 0.80 ALDH1A1 (0.68) XDHALDH1A1FBP1CA1CA2
SCHEMBL9681088 0.80 ALDH1A1 (0.68) XDHALDH1A1FBP1CA1CA2
SCHEMBL69166 0.80 ALDH1A1 (0.68) XDHALDH1A1FBP1CA1CA2
SCHEMBL2615887 0.80 ALDH1A1 (0.68) XDHALDH1A1FBP1CA1CA2
SCHEMBL9078329 0.80 TTR (0.58) FBP1PTPN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519953-A1 ACYL PHOSPHATE ESTERS AND MODIFICATION OF PROTEINS THEREWITH. UNIV TORONTO (CA) 1992-12-30 EP claimed
WO-1991013891-A1 ACYL PHOSPHATE ESTERS AND MODIFICATION OF PROTEINS THEREWITH THE UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1991-09-19 WO claimed
EP-0519953-B1 ACYL PHOSPHATE ESTERS AND MODIFICATION OF PROTEINS THEREWITH UNIV TORONTO (CA) 1996-02-07 EP disclosed
US-5334707-A Crosslinking UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION, THE (CA) 1994-08-02 US disclosed
EP-0519953-A1 ACYL PHOSPHATE ESTERS AND MODIFICATION OF PROTEINS THEREWITH. UNIV TORONTO (CA) 1992-12-30 EP disclosed