SCHEMBL5318581

SCHEMBL5318581

CC(C)C[C@H](C(=O)N1CCNC[C@]1(C)c1ccccc1F)[C@H](O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TP53 P04637 1/20 0.31
LTA4H P09960 1/20 0.31
ANPEP P15144 1/20 0.31
OPRL1 P41146 2/20 0.31
HCAR2 Q8TDS4 1/20 0.31
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL5324960 1.00 SLC6A2 (0.31) SLC6A2SLC6A3TP53LTA4HANPEP
SCHEMBL5320212 0.90 MMP2 (0.43) LTA4HANPEP
SCHEMBL5320170 0.88 MC4R (0.34) DPP4DPP7
SCHEMBL5316662 0.86 MTNR1B (0.37) SLC6A2
SCHEMBL5316333 0.80 ADAM17 (0.38) SLC6A2SLC6A3TP53
SCHEMBL5317625 0.79 MMP1 (0.34) SLC6A2SLC6A3
SCHEMBL5317832 0.79 MMP2 (0.40) LTA4HANPEP
SCHEMBL5324832 0.78 HPGD (0.34)
SCHEMBL5323626 0.78 HCAR3 (0.30) HCAR2
SCHEMBL15094568 0.78 HCAR2 (0.39) OPRL1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP claimed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO claimed