SCHEMBL6879069

SCHEMBL6879069

CC(C#N)COC(=O)OCC(C)C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 5/20 0.36
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS1 P23219 1/20 0.32
APEX1 P27695 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL1959011 0.84
SCHEMBL26502272 0.84 TSHR (0.34) ALDH1A1TSHR
SCHEMBL585285 0.84
SCHEMBL28283155 0.82
SCHEMBL3291490 0.80 TSHR (0.32) TSHR
SCHEMBL15092132 0.77 MGAM (0.32) TSHR
SCHEMBL6240721 0.77 TSHR (0.62) ALDH1A1TSHRAPEX1TDP1
SCHEMBL809780 0.77 TSHR (0.62) ALDH1A1TSHRCYP3A4
SCHEMBL15121225 0.76 ALDH1A1 (0.36) ALDH1A1TSHRMEN1LMNACYP3A4
SCHEMBL13758096 0.76 TSHR (0.41) ALDH1A1TSHR

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-1483286-A1 A PROCESS FOR THE PRODUCTION OF RAMOPLANIN-LIKE AMIDE DERIVATIVES Vicuron Pharmaceuticals, Inc. (US) 2004-12-08 EP disclosed
WO-2003076460-A1 A PROCESS FOR THE PRODUCTION OF RAMOPLANIN-LIKE AMIDE DERIVATIVES VICURON PHARMACEUTICALS INC. (US) 2003-09-18 WO disclosed