SCHEMBL5503890

SCHEMBL5503890

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1nc2c(N)nc3cccc(CCCCNS(C)(=O)=O)c3c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.41
HDAC6 Q9UBN7 7/20 0.41
HDAC3 O15379 6/20 0.41
HDAC4 P56524 6/20 0.41
HDAC7 Q8WUI4 6/20 0.41
HDAC2 Q92769 6/20 0.41
HDAC10 Q969S8 6/20 0.41
HDAC11 Q96DB2 6/20 0.41
HDAC8 Q9BY41 6/20 0.41
HDAC9 Q9UKV0 6/20 0.41
HDAC5 Q9UQL6 6/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 2/20 0.36
CTSD P07339 1/20 0.35

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
SCHEMBL2744136 0.75 TLR7 (0.62) HDAC1HDAC6
SCHEMBL4586839 0.64 TLR7 (0.38)
SCHEMBL5276268 0.61 TLR8 (0.42)
SCHEMBL3977482 0.61 TLR7 (0.37)
SCHEMBL24596987 0.61 CTSB (0.59) CA2CA5ACTSBCTSKMEN1
SCHEMBL14595222 0.61 CTSB (0.59) CA2CA5ACTSBCTSKMEN1
SCHEMBL6897148 0.61 CTSB (0.57) CTSBCTSKMEN1KMT2A
SCHEMBL23051873 0.61 CTSB (0.59) CTSBCTSKMEN1KMT2A
SCHEMBL1908598 0.61 CTSK (0.62) CA2CA5ACTSBCTSKMEN1
SCHEMBL28892051 0.61 TRPM8 (0.62) CA2CA5ACTSBCTSKMEN1

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
EP-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed