SCHEMBL8630560

SCHEMBL8630560

CC(C)CCC(F)(F)C(=O)CP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 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
SCHEMBL453784 0.91 ALDH1A1 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7627856 0.86 CES2 (0.35) TDP1LAP3
SCHEMBL8414151 0.86 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8410344 0.81 ALDH1A1 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8414149 0.81
SCHEMBL10994878 0.79 MEN1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8822878 0.79 FDPS (0.40) MEN1LMNAHPGDTSHRBLM
SCHEMBL15423500 0.76 ALDH1A1 (0.37) TDP1
SCHEMBL3001830 0.76 CES2 (0.44) MEN1KMT2A
SCHEMBL8412621 0.75 ANPEP (0.37) MEN1LMNAHPGDTSHRBLM

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
US-5739161-A PROSTAGLANDINS; DIARRHEA SIDE EFFECT REDUCTION R-TECH UENO, LTD. (JP) 1998-04-14 US disclosed