SCHEMBL8864786

SCHEMBL8864786

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CTSS P25774 2/20 0.38
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8728468 1.00 CTSK (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL738693 0.84 CA1 (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL166623 0.79 CA1 (0.42) CTSKCA1CA2CA7CTSS
SCHEMBL7878490 0.75 CTSK (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL166206 0.74 CA1 (0.42) CTSKCA1CA2CA7CTSS
SCHEMBL8864839 0.74 CA1 (0.41) CTSKCA1CA2CA7CTSS
SCHEMBL6612741 0.74 TDP1 (0.44) CTSKCA1CA2CA7CYP2D6
SCHEMBL17019827 0.73 MEN1 (0.46) CTSKCA1CA2CA7CTSS
SCHEMBL9220420 0.73 MEN1 (0.46) CTSKCA1CA2CA7CTSS
SCHEMBL19628801 0.73 MEN1 (0.46) CTSKCA1CA2CA7CTSS

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-5686469-A ANTIINFLAMMATORY AGENTS MILES INC. (US) 1997-11-11 US claimed
US-5686469-A ANTIINFLAMMATORY AGENTS MILES INC. (US) 1997-11-11 US disclosed