SCHEMBL4085280

SCHEMBL4085280

CCCO[C@@H]1C=C(C(=O)OCC)C[C@H](N)[C@H]1NC(C)=O

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL1255188 0.92 MEN1 (0.59) MEN1LMNACYP3A4KMT2A
SCHEMBL14950040 0.86
SCHEMBL30513882 0.85 MEN1 (0.65) MEN1LMNACYP3A4KMT2A
SCHEMBL972115 0.83 MEN1 (0.72) MEN1LMNACYP3A4KMT2A
SCHEMBL12033023 0.83 MEN1 (0.60) MEN1LMNACYP3A4KMT2A
Oseltamivir SCHEMBL14283136 0.82 MEN1 (0.88) MEN1LMNACYP3A4KMT2A
Oseltamivir SCHEMBL4234896 0.82 MEN1 (0.88) MEN1LMNACYP3A4KMT2A
Oseltamivir SCHEMBL125557 0.82 MEN1 (0.88) MEN1LMNACYP3A4KMT2A
Oseltamivir SCHEMBL14775954 0.82 MEN1 (0.88) MEN1LMNACYP3A4KMT2A
Oseltamivir SCHEMBL13459830 0.82 MEN1 (0.88) MEN1LMNACYP3A4KMT2A

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
WO-2009078813-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-06-25 WO disclosed