SCHEMBL17145151

SCHEMBL17145151

CCOC(=O)C1=C[C@@H]2C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
KDM1A O60341 2/20 0.39
NFKB1 P19838 3/20 0.36
NFKB2 Q00653 3/20 0.36
RELA Q04206 3/20 0.36
GLA P06280 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
BTK Q06187 1/20 0.33
ABCB1 P08183 1/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL15144348 0.82 KMT2A (0.34) NFKB1NFKB2RELAKMT2AMEN1
SCHEMBL17145150 0.80 GLA (0.37) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL12723246 0.78 MEN1 (0.43) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL17145161 0.78 MEN1 (0.43) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL12867174 0.77 LMNA (0.37) MAOANFKB1NFKB2RELAGLA
SCHEMBL15929807 0.77 LMNA (0.37) MAOANFKB1NFKB2RELAGLA
SCHEMBL15471469 0.77 KMT2A (0.36) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL15471470 0.77 MEN1 (0.38) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL15933107 0.77 KMT2A (0.36) MAOBMAOAKDM1ANFKB1NFKB2
SCHEMBL19513769 0.76 MAOB (0.37) MAOBMAOAKDM1ANFKB1NFKB2

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
US-9150498-B2 Process for the preparation of oseltamivir and methyl 3-epi-shikimate COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-10-06 US disclosed