SCHEMBL6349485

SCHEMBL6349485

Cc1c(O)cccc1-c1cc(NC(=O)[C@H](CCCCN)NC(=O)C(C)(C)C)ccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 3/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ EHMT2 Q96KQ7 2/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ MMP3 P08254 2/20 0.37
▸ PLG P00747 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ PDF Q9HBH1 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ SIRT5 Q9NXA8 2/20 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
SCHEMBL5970269 0.86 HPGDS (0.43) HDAC4HDAC1MMP1MMP3PLG
SCHEMBL5970266 0.81 HDAC4 (0.54) HDAC4HDAC1PLGHDAC3HDAC7
SCHEMBL6350490 0.80 HDAC4 (0.51) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5971110 0.77 KLKB1 (0.42) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970151 0.75 CPA1 (0.46) HDAC4HDAC1EHMT2MMP1MMP3
SCHEMBL5970300 0.75 SIRT5 (0.52) HDAC4HDAC1PLGHDAC3HDAC7
SCHEMBL5970942 0.75 SIRT5 (0.52) HDAC4HDAC1PLGHDAC3HDAC7
SCHEMBL5970139 0.75 SIRT5 (0.55) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970983 0.75 SIRT5 (0.55) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970333 0.74 HDAC4 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2

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
US-6849757-B2 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBOTT LABORATORIES (US) 2005-02-01 — — US claimed
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