SCHEMBL8414243

SCHEMBL8414243

CC(C)C[C@@H](C)CC(F)(F)C(=O)CP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.37
LAP3 P28838 2/20 0.37
ERAP1 Q9NZ08 1/20 0.37
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
SCHEMBL8412621 1.00 ANPEP (0.37) ANPEPLAP3ERAP1MEN1LMNA
SCHEMBL8633890 0.84 LAP3 (0.32) LAP3MEN1LMNAHPGDTSHR
SCHEMBL3012774 0.84 LAP3 (0.32) LAP3MEN1LMNAHPGDTSHR
SCHEMBL8413370 0.79 MEN1 (0.32) LAP3MEN1LMNAHPGDTSHR
SCHEMBL8410804 0.76 MEN1 (0.30) MEN1LMNAHPGDTSHRBLM
SCHEMBL8630560 0.75 GRIN2D (0.33) ANPEPLAP3ERAP1MEN1LMNA
SCHEMBL8411160 0.75 LAP3 (0.33) LAP3MEN1LMNAHPGDTSHR
SCHEMBL8414200 0.75 LAP3 (0.39) ANPEPLAP3ERAP1MEN1LMNA
SCHEMBL453784 0.74 ALDH1A1 (0.32) ANPEPLAP3ERAP1MEN1LMNA
SCHEMBL7627856 0.70 CES2 (0.35) LAP3TDP1

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