SCHEMBL6350490

SCHEMBL6350490

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)O)c(-c2cccc(O)c2C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 4/20 0.51
▸ HDAC1 Q13547 4/20 0.51
▸ HDAC3 O15379 2/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC10 Q969S8 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC9 Q9UKV0 2/20 0.49
▸ HDAC5 Q9UQL6 2/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.47
▸ CTSK P43235 8/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ SIRT2 Q8IXJ6 4/20 0.40
▸ SIRT1 Q96EB6 4/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL5971952 0.86 SIRT5 (0.55) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970266 0.83 HDAC4 (0.54) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6349485 0.80 HDAC4 (0.38) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970372 0.78 SIRT5 (0.54) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970315 0.78 SIRT5 (0.52) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970983 0.78 SIRT5 (0.55) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970447 0.78 SIRT5 (0.60) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL5970139 0.78 SIRT5 (0.55) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL23454631 0.77 HDAC4 (0.65) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL26436622 0.77 HDAC4 (0.65) 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
Send feedback