SCHEMBL5464768

SCHEMBL5464768

CC(C)C[C@H](C(=O)N1CCNC[C@@]1(C)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H](O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
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
SCHEMBL5462225 0.91 MMP2 (0.39) SCN7AKCNH2SCN9ALMNAMAPK1
SCHEMBL5324832 0.84 HPGD (0.34)
SCHEMBL5317625 0.83 MMP1 (0.34) MAPK1SMN1; SMN2
SCHEMBL5322497 0.81 SLC6A2 (0.36) SMN1; SMN2
SCHEMBL5395845 0.81 MMP1 (0.35) MAPK1SMN1; SMN2
SCHEMBL3868068 0.79 MMP2 (0.42)
SCHEMBL5319325 0.79 CCR1 (0.34)
SCHEMBL5372203 0.78 GPR183 (0.35) KCNH2SMN1; SMN2
SCHEMBL5316333 0.78 ADAM17 (0.38) LMNAMAPK1HTT
SCHEMBL5368861 0.78 CETP (0.31)

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 disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed