SCHEMBL5474229

SCHEMBL5474229

C[C@@]1(c2ccc(OC(F)(F)F)cc2)CNCCN1C(=O)[C@@H](CC1CCCC1)[C@H](O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.37
CTSK P43235 11/20 0.37
CTSL P07711 10/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
EPHX2 P34913 3/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL5449428 0.85 FPR2 (0.39) CTSSEPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL27680758 0.78 SLC6A4 (0.37) EPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL5337780 0.77 MMP8 (0.41) EPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL5338202 0.77 CTSS (0.36) CTSSEPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL5319325 0.75 CCR1 (0.34)
SCHEMBL5317625 0.75 MMP1 (0.34) ALDH1A1POLBSLC6A4SLC6A3SLC6A2
SCHEMBL5322497 0.73 SLC6A2 (0.36) KDM4EALDH1A1POLBSLC6A4SLC6A3
SCHEMBL5395845 0.73 MMP1 (0.35) CTSSCTSKCTSLKDM4EALDH1A1
SCHEMBL5464768 0.73 SCN7A (0.33)
SCHEMBL2244309 0.73 CHRM2 (0.53) CTSSCTSKCTSLEPHX2

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