SCHEMBL5971002

SCHEMBL5971002

CC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)C(O)c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.46
▸ SIRT1 Q96EB6 12/20 0.46
▸ SIRT3 Q9NTG7 4/20 0.45
▸ SIRT5 Q9NXA8 4/20 0.45

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
SCHEMBL5970141 0.91 SIRT2 (0.49) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5970996 0.89 SIRT2 (0.45) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5970777 0.85 SIRT5 (0.51) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5970274 0.84 SIRT2 (0.52) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5970296 0.76 CPA1 (0.43) SIRT5
SCHEMBL5971121 0.75 KDM4E (0.42) —
SCHEMBL5970389 0.72 CPA1 (0.43) SIRT5
SCHEMBL7867833 0.72 CA1 (0.42) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5971183 0.72 SIRT5 (0.56) SIRT2SIRT1SIRT3SIRT5
SCHEMBL6883726 0.72 SIRT5 (0.56) SIRT2SIRT1SIRT3SIRT5

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 disclosed
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