SCHEMBL2398968

SCHEMBL2398968

O=C(O)C(=O)/C=C(\O)CP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ENO1 P06733 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ACE P12821 1/20 0.32
CA2 P00918 2/20 0.31
CA12 O43570 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
SCHEMBL27700706 0.69
SCHEMBL25244935 0.67 TSHR (0.50) MEN1LMNAHPGDTSHRBLM
SCHEMBL8031151 0.67 TSHR (0.50) MEN1LMNAHPGDTSHRBLM
SCHEMBL50366 0.66 MEN1 (0.58) MEN1LMNAHPGDTSHRBLM
SCHEMBL30520176 0.65 MEN1 (0.50) MEN1LMNAHPGDTSHRBLM
Fosfonet SCHEMBL15612 0.64
SCHEMBL5000897 0.63 MEN1 (0.48) MEN1LMNAHPGDTSHRBLM
Fosfonet SCHEMBL9162319 0.62
Fosfonet SCHEMBL4607410 0.62 MEN1 (0.93) MEN1LMNAHPGDTSHRBLM
Fosfonet SCHEMBL2801407 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372601-B2 Compositions and methods for the synthesis of APPA-containing peptides UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN (US) 2013-02-12 US disclosed
US-20110217734-A1 COMPOSITIONS AND METHODS FOR THE SYNTHESIS OF APPA-CONTAINING PEPTIDES UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN 2011-09-08 US disclosed