SCHEMBL723967

SCHEMBL723967

CC(C)(C(O)C(=O)O)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
FDPS P14324 1/20 0.36
TP53 P04637 1/20 0.35
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
CPT2 P23786 1/20 0.32
ACLY P53396 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
TSHR P16473 1/20 0.30
PGD P52209 1/20 0.30

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
SCHEMBL2982314 0.77 LMNA (0.39) LMNAFDPSTP53ALDH1A1MAPT
SCHEMBL722750 0.76 PGK1 (0.35) FDPSPGK1PGK2PGD
SCHEMBL26479987 0.71 LMNA (0.35) LMNAFDPSTP53
SCHEMBL2035324 0.69
SCHEMBL194255 0.69
SCHEMBL640168 0.69
SCHEMBL1048723 0.69 FDPS (0.46) LMNAFDPSPGK1PGK2
SCHEMBL2202444 0.68 CPT2 (0.40) LMNAPGK1PGK2CPT2ACLY
SCHEMBL7962142 0.67 LMNA (0.45) LMNAFDPSPGK1PGK2ALDH1A1
SCHEMBL106774 0.67

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
WO-2012027642-A1 BALANCED FOUR-STEP PATHWAYS TO RENEWABLE BUTANOLS GEVO, INC. (US) 2012-03-01 WO disclosed