SCHEMBL5971029

SCHEMBL5971029

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 4/20 0.47
▸ HPGDS O60760 1/20 0.41
▸ CPA1 P15085 1/20 0.37
▸ CPA2 P48052 1/20 0.37
▸ CPA4 Q9UI42 1/20 0.37
▸ HDAC1 Q13547 4/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SIRT2 Q8IXJ6 4/20 0.35
▸ SIRT1 Q96EB6 4/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ TERT O14746 1/20 0.35
▸ HDAC3 O15379 3/20 0.35
▸ HDAC4 P56524 3/20 0.35
▸ HDAC7 Q8WUI4 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ HDAC10 Q969S8 3/20 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
SCHEMBL5970307 0.93 CPA1 (0.42) SIRT5CPA1CPA2CPA4HDAC1
SCHEMBL5970130 0.88 HPGDS (0.49) SIRT5HPGDSCPA1CPA2CPA4
SCHEMBL5970058 0.88 HPGDS (0.49) SIRT5HPGDSCPA1CPA2CPA4
SCHEMBL5970300 0.86 SIRT5 (0.52) SIRT5HPGDSCPA1CPA2CPA4
SCHEMBL5970942 0.86 SIRT5 (0.52) SIRT5HPGDSCPA1CPA2CPA4
SCHEMBL5970135 0.85 SIRT5 (0.46) SIRT5HPGDSCPA1CPA2CPA4
SCHEMBL5970592 0.84 SIRT5 (0.54) SIRT5HPGDSCPA1CPA2CPA4
SCHEMBL5970251 0.83 SIRT5 (0.48) SIRT5HPGDSCPA1CPA2CPA4
SCHEMBL5970241 0.83 SIRT5 (0.48) SIRT5HPGDSCPA1CPA2CPA4
SCHEMBL5970299 0.81 FNTA (0.46) SIRT5CPA1CPA2CPA4HDAC1

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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