SCHEMBL9744793

SCHEMBL9744793

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSK P43235 12/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CTSS P25774 5/20 0.35
MAPT P10636 1/20 0.34
PPARA Q07869 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL9743070 0.87 CA1 (0.37) MEN1GAAKMT2ACTSKCA1
SCHEMBL10580459 0.84 CA1 (0.40) CTSKCA1CA2CA7CTSS
SCHEMBL9743732 0.82 CTSK (0.41) CTSK
SCHEMBL24789816 0.77 CA1 (0.41) MEN1GAAKMT2ACTSKCA1
SCHEMBL9744035 0.76 CA1 (0.34) MEN1GAAKMT2ACTSKCA1
SCHEMBL9744122 0.74 SMN1; SMN2 (0.39) CTSKCA1CA2CA7CTSS
SCHEMBL17282799 0.72 CA1 (0.44) KMT2ACTSKCA1CA2CA7
SCHEMBL3409426 0.70 CTSS (0.41) CTSKCA1CA2CA7CTSS
SCHEMBL13596731 0.70 CTSK (0.36) MEN1GAAKMT2ACTSKCA1
SCHEMBL9840275 0.69 CTSK (0.40) CTSKCA1CA2CA7

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
US-5175344-A Anticonvulsants, anxiolytic agents CIBA-GEIGY CORPORATION (US) 1992-12-29 US disclosed
US-5051413-A For treatment of ischemia, antispasmodic agents, anticonvulsants and anxiety or manic conditions CIBA-GEIGY CORPORATION (US) 1991-09-24 US disclosed