SCHEMBL8207451

SCHEMBL8207451

CC(C)[C@H](N)C(=O)CCC[C]=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
LTA4H P09960 1/20 0.35
DPP4 P27487 2/20 0.34
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30
GABRG3 Q99928 2/20 0.30
GABRQ Q9UN88 2/20 0.30
DPP8 Q6V1X1 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
SCHEMBL8206628 0.92 LTA4H (0.37) SLC7A5LTA4HDPP4
SCHEMBL8356433 0.92 LTA4H (0.37) SLC7A5LTA4HDPP4
SCHEMBL8199703 0.92 LTA4H (0.37) SLC7A5LTA4HDPP4
SCHEMBL8206575 0.92 LTA4H (0.37) SLC7A5LTA4HDPP4
SCHEMBL8207026 0.92 LTA4H (0.37) SLC7A5LTA4HDPP4
SCHEMBL8212112 0.92 LTA4H (0.37) SLC7A5LTA4HDPP4
SCHEMBL8210432 0.84 FAAH (0.40)
SCHEMBL5730954 0.79 LTA4H (0.31) LTA4H
SCHEMBL13934948 0.77 CES2 (0.44) SLC7A5DPP4DPP8DPP9DPP7
SCHEMBL13934353 0.77 CES2 (0.44) SLC7A5DPP4DPP8DPP9DPP7

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-0971923-A2 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 2000-01-19 EP disclosed
US-5869493-A ANTIVIRALS AGAINST HERPES AND RETROVIRUSES MEDIVIR AB (SE) 1999-02-09 US disclosed
WO-1998034917-A2 SYNTHESIS OF ACYCLIC NUCLEOSIDE DERIVATIVES MEDIVIR AB (SE) 1998-08-13 WO disclosed