SCHEMBL8414151

SCHEMBL8414151

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

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
METAP1 P53582 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8410344 0.92 ALDH1A1 (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8630560 0.86 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8413370 0.82 MEN1 (0.32) MEN1LMNAHPGDTSHRBLM
SCHEMBL453784 0.81 ALDH1A1 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7627856 0.77 CES2 (0.35) TDP1
SCHEMBL8822878 0.76 FDPS (0.40) MEN1LMNAHPGDTSHRBLM
SCHEMBL3001830 0.73 CES2 (0.44) MEN1KMT2A
SCHEMBL8413329 0.72 MEN1 (0.30) MEN1LMNAHPGDTSHRBLM
SCHEMBL8414197 0.72 MEN1 (0.30) MEN1LMNAHPGDTSHRBLM
SCHEMBL8633890 0.70 LAP3 (0.32) 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 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