SCHEMBL8300175

SCHEMBL8300175

CC(C)[C@@H](C)OC(=O)N[C@H](C=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.37
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 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
SCHEMBL8135670 0.87 CTSK (0.38) CTSKCA1CA2CA7
SCHEMBL7945239 0.80 CTSK (0.38) CTSKCA1CA2CA7
SCHEMBL22749258 0.77 CTSK (0.54) CTSKCA1CA2CA7
SCHEMBL806058 0.77 CTSK (0.54) CTSKCA1CA2CA7
SCHEMBL8300173 0.75 SMN1; SMN2 (0.44) CTSKCA1CA2CA7
SCHEMBL10170123 0.74 LMNA (0.39) CTSK
SCHEMBL17032847 0.73 TSHR (0.36) CTSKCA1CA2CA7
SCHEMBL10137355 0.72 CA2 (0.36) CTSKCA1CA2CA7
SCHEMBL12140942 0.71 CTSK (0.38) CTSK
SCHEMBL13051375 0.71 CTSK (0.33) CTSK

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-2004103996-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 WO disclosed