SCHEMBL5338202

SCHEMBL5338202

C[C@@]1(c2ccc(OC(F)(F)F)cc2)CNCCN1C(=O)[C@@H](Cc1ccccc1)[C@H](O)C(=O)NO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.36
FPR2 P25090 1/20 0.36
MMP9 P14780 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP2 P08253 1/20 0.36
FCER2 P06734 3/20 0.35
MMP3 P08254 1/20 0.34
CHRM4 P08173 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP3A4 P08684 1/20 0.33
UGCG Q16739 1/20 0.33
ACHE P22303 1/20 0.33
MMP1 P03956 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM2 P08172 1/20 0.33
CDK8 P49336 1/20 0.33
NTRK3 Q16288 1/20 0.33
VNN1 O95497 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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 0.91 FPR2 (0.39) CTSSFPR2CHRM4P2RX7ACHE
SCHEMBL5337780 0.87 MMP8 (0.41) MMP9ADAM17MMP2MMP3MMP1
SCHEMBL5379847 0.79 MMP2 (0.41) MMP9ADAM17MMP2MMP3MMP1
SCHEMBL5450417 0.77 MMP2 (0.39) MMP9ADAM17MMP2MMP3MMP1
SCHEMBL5474229 0.77 CTSS (0.37) CTSSEPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL5345342 0.77 MMP2 (0.44) MMP9ADAM17MMP2MMP3MMP1
SCHEMBL27680758 0.76 SLC6A4 (0.37) EPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL2247550 0.75 CHRM4 (0.49) CTSSCHRM4CHRM2
SCHEMBL5378455 0.75 MMP2 (0.42) MMP9ADAM17MMP2MMP3MMP1
SCHEMBL5373840 0.75 MMP2 (0.37) MMP9ADAM17MMP2MMP3MMP1

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