SCHEMBL9840275

SCHEMBL9840275

CC(=C[C@H](CO)NC(=O)OC(C)(C)C)CP(=O)(OC(C)C)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL9743732 0.87 CTSK (0.41) CTSK
SCHEMBL9745562 0.86 CTSK (0.39) CTSKCA1CA2CA7
SCHEMBL9743070 0.82 CA1 (0.37) CTSKCA1CA2CA7
SCHEMBL9744122 0.80 SMN1; SMN2 (0.39) CTSKCA1CA2CA7
SCHEMBL10580459 0.74 CA1 (0.40) CTSKCA1CA2CA7
SCHEMBL3938694 0.71 CTSK (0.38) CTSKCA1CA2CA7
SCHEMBL3212396 0.70 CTSK (0.66) CTSKCA1CA2CA7
SCHEMBL2405499 0.70 CTSK (0.66) CTSKCA1CA2CA7
SCHEMBL9744793 0.69 MEN1 (0.38) CTSKCA1CA2CA7
SCHEMBL13596729 0.69 CTSK (0.41) 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
US-5051413-A For treatment of ischemia, antispasmodic agents, anticonvulsants and anxiety or manic conditions CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed