SCHEMBL3425409

SCHEMBL3425409

CC(C)CN(C(=O)NO)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 1/20 0.33
AAK1 Q2M2I8 2/20 0.33
MMP13 P45452 1/20 0.33
MMP8 P22894 1/20 0.33
CA14 Q9ULX7 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CA12 O43570 1/20 0.32
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL3422083 0.88 CA14 (0.34) CA1CA2CA7AAK1MMP13
SCHEMBL3422485 0.85 CPB2 (0.33) CA1CA2CA7MMP13MMP8
SCHEMBL3423361 0.82 CA14 (0.38) CA1CA2CA7AAK1CA14
SCHEMBL3423603 0.80 CA14 (0.34) CA1CA2CA7MMP13CA14
SCHEMBL3421552 0.77 CA14 (0.42) CA1CA2CA7MMP13CA14
SCHEMBL6295389 0.76 HDAC6 (0.32) CA1CA2CA7AAK1HDAC6
SCHEMBL21025722 0.76 ALDH1A1 (0.38) CA1CA2CA7CA14HDAC6
SCHEMBL3422989 0.74 DGAT1 (0.38) CA1CA2CA7AAK1CA14
SCHEMBL20326558 0.74 CA1 (0.45) CA1CA2CA7CA14HDAC6
SCHEMBL6295278 0.73 DPP4 (0.36) CA1CA2CA7HDAC6HDAC1

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-2010065709-A2 HYDROXAMIC ACID DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF KHAN AMIN (US) 2010-06-10 WO disclosed