SCHEMBL5970969

SCHEMBL5970969

CC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)Nc1ccc(OC(=O)O)c(-c2cccc(O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 4/20 0.53
▸ HDAC4 P56524 4/20 0.52
▸ HDAC1 Q13547 4/20 0.52
▸ HDAC3 O15379 2/20 0.51
▸ HDAC7 Q8WUI4 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC9 Q9UKV0 2/20 0.51
▸ HDAC5 Q9UQL6 2/20 0.51
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ SIRT2 Q8IXJ6 6/20 0.40
▸ SIRT1 Q96EB6 5/20 0.40
▸ CTSS P25774 2/20 0.38
▸ CTSK P43235 2/20 0.38
▸ CTSB P07858 1/20 0.38
▸ SIRT3 Q9NTG7 1/20 0.38

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
SCHEMBL5970275 0.97 SIRT5 (0.54) SIRT5HDAC4HDAC1HDAC3HDAC7
SCHEMBL5970452 0.90 SIRT5 (0.57) SIRT5HDAC4HDAC1HDAC3HDAC7
SCHEMBL5970337 0.89 HDAC4 (0.44) SIRT5HDAC4HDAC1HDAC3HDAC7
SCHEMBL5970372 0.88 SIRT5 (0.54) SIRT5HDAC4HDAC1HDAC3HDAC7
SCHEMBL5970139 0.85 SIRT5 (0.55) SIRT5HDAC4HDAC1HDAC3HDAC7
SCHEMBL5970983 0.85 SIRT5 (0.55) SIRT5HDAC4HDAC1HDAC3HDAC7
SCHEMBL5970370 0.84 SIRT5 (0.53) SIRT5HDAC4HDAC1HDAC3HDAC7
SCHEMBL5970373 0.84 SIRT5 (0.53) SIRT5HDAC4HDAC1HDAC3HDAC7
SCHEMBL5970497 0.83 SIRT5 (0.53) SIRT5HDAC4HDAC1HDAC3HDAC7
SCHEMBL5970494 0.83 SIRT5 (0.53) SIRT5HDAC4HDAC1HDAC3HDAC7

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
EP-1080070-B1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LAB (US) 2006-11-22 — — EP claimed
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