SCHEMBL3421165

SCHEMBL3421165

CCC(C)CN(C(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.37
CA14 Q9ULX7 4/20 0.36
CA1 P00915 3/20 0.36
CA12 O43570 3/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.33
DGAT1 O75907 1/20 0.33
CTSK P43235 6/20 0.33
CTSS P25774 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL3423361 0.86 CA14 (0.38) CPB2CA14CA1CA12CA2
SCHEMBL3422485 0.85 CPB2 (0.33) CPB2CA14CA1CA12CA2
SCHEMBL24271052 0.83 HDAC6 (0.33) CPB2CA14CA1CA12CA2
SCHEMBL3422989 0.81 DGAT1 (0.38) CPB2CA14CA1CA12CA2
SCHEMBL3422429 0.80 DGAT1 (0.39) CPB2CA14CA1CA12CA2
SCHEMBL17049571 0.79 HDAC6 (0.33) CA14CA1CA12CA2CA7
SCHEMBL12336689 0.79 HDAC6 (0.33) CA14CA1CA12CA2CA7
SCHEMBL14551606 0.79 CTSK (0.33) CPB2CA14CA1CA12CA2
SCHEMBL13715964 0.77 CA14 (0.39) CA14CA1CA12CA2CA7
SCHEMBL12324239 0.77 HDAC6 (0.36) CPB2CA14CA1CA12CA2

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