SCHEMBL20029331

SCHEMBL20029331

C#C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCI

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.46
CTSS P25774 13/20 0.46
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL19373028 0.78 CTSK (0.44) CTSKCTSSCTSLCTSBCA1
SCHEMBL20750960 0.78 CA1 (0.43) CTSKCTSSCTSLCTSBCA1
SCHEMBL18681498 0.78 CA1 (0.43) CTSKCTSSCTSLCTSBCA1
SCHEMBL6623922 0.78 CTSK (0.44) CTSKCTSSCTSLCTSBCA1
SCHEMBL6624042 0.78 CA1 (0.43) CTSKCTSSCTSLCTSBCA1
SCHEMBL20734182 0.76 CTSS (0.56) CTSKCTSSCTSLCTSBCA1
SCHEMBL12904684 0.74 TDP1 (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL23736310 0.73 CA1 (0.40) CTSKCTSSCTSLCTSBCA1
SCHEMBL1106536 0.72 CA1 (0.49) CTSKCTSSCTSLCTSBCA1
SCHEMBL4217171 0.72 CA1 (0.49) CTSKCTSSCTSLCTSBCA1

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-2018060781-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LACOSAMIDE UNICHEM LABORATORIES LTD (IN) 2018-04-05 WO disclosed