SCHEMBL28835157

SCHEMBL28835157

CCCCCN[C@H](C(=O)N(C)O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 4/20 0.40
EPHX1 P07099 8/20 0.36
DPP7 Q9UHL4 1/20 0.35
MMP2 P08253 5/20 0.35
MMP3 P08254 5/20 0.35
MMP1 P03956 3/20 0.35
MMP7 P09237 1/20 0.35

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
SCHEMBL28835158 1.00 PDF (0.40) PDFEPHX1DPP7MMP2MMP3
SCHEMBL10877449 0.80 SMN1; SMN2 (0.46) EPHX1DPP7MMP2MMP3MMP1
SCHEMBL2526531 0.80 SMN1; SMN2 (0.46) EPHX1DPP7MMP2MMP3MMP1
SCHEMBL2524548 0.80 SMN1; SMN2 (0.46) EPHX1DPP7MMP2MMP3MMP1
SCHEMBL13688891 0.77 SMN1; SMN2 (0.42) PDFEPHX1DPP7MMP2MMP3
SCHEMBL28104930 0.72 DPP7 (0.44) EPHX1DPP7
SCHEMBL28104931 0.72 DPP7 (0.44) EPHX1DPP7
SCHEMBL28104958 0.70 L3MBTL1 (0.40) EPHX1MMP2MMP3MMP1MMP7
SCHEMBL28104956 0.70 L3MBTL1 (0.40) EPHX1MMP2MMP3MMP1MMP7
SCHEMBL30980900 0.68 EPHX1 (0.41) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596913-B Cannabinoid receptor modulators 艾尼纳制药公司 2016-11-09 CN disclosed