SCHEMBL6234024

SCHEMBL6234024

C#C[C@H]1C[C@@H](O)C[N+]1(C(=O)[O-])C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
CYP2C19 P33261 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
SCHEMBL6233979 1.00 LMNA (0.35) LMNATHRBCYP2C19
SCHEMBL3955359 0.76 LMNA (0.39) LMNATHRBCYP2C19
SCHEMBL6238979 0.75
SCHEMBL6237706 0.75
SCHEMBL1302820 0.73 LMNA (0.44) LMNATHRBCYP2C19
SCHEMBL3954238 0.72 LMNA (0.36) LMNATHRBCYP2C19
SCHEMBL4765447 0.72 LMNA (0.36) LMNATHRBCYP2C19
SCHEMBL6243368 0.72 HPGD (0.33)
SCHEMBL6241949 0.72 EPHX1 (0.40)
SCHEMBL3948771 0.71 LMNA (0.33) LMNATHRBCYP2C19

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-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed