SCHEMBL8410344

SCHEMBL8410344

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
METAP1 P53582 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
SCHEMBL8414151 0.92 GRIN2D (0.31) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL453784 0.86 ALDH1A1 (0.32) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL7627856 0.82 CES2 (0.35) ALDH1A1TDP1
SCHEMBL8413370 0.81 MEN1 (0.32) TDP1
SCHEMBL8630560 0.81 GRIN2D (0.33) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3001830 0.79 CES2 (0.44)
SCHEMBL7625718 0.76 CES2 (0.55)
SCHEMBL8822878 0.74 FDPS (0.40) TDP1
SCHEMBL14723393 0.73
SCHEMBL7947604 0.72 ALDH1A1 (0.34) ALDH1A1TDP1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0690049-B1 Agent for treating hepato biliary diseases R TECH UENO LTD (JP) 1999-08-04 EP disclosed
US-5739161-A PROSTAGLANDINS; DIARRHEA SIDE EFFECT REDUCTION R-TECH UENO, LTD. (JP) 1998-04-14 US disclosed
EP-0690049-A2 Agent for treating hepato biliary diseases R-TECH UENO LTD. (JP) 1996-01-03 EP disclosed