SCHEMBL5970631

SCHEMBL5970631

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.43
▸ HPGDS O60760 3/20 0.42
▸ AKT1 P31749 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CPA1 P15085 1/20 0.37
▸ CPA2 P48052 1/20 0.37
▸ CPA4 Q9UI42 1/20 0.37
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC4 P56524 3/20 0.35
▸ PYGL P06737 1/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34

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
SCHEMBL5970058 0.85 HPGDS (0.49) SIRT5HPGDSCA1CA2CPA1
SCHEMBL5970135 0.85 SIRT5 (0.46) SIRT5HPGDSCA1CA2CPA1
SCHEMBL5970130 0.85 HPGDS (0.49) SIRT5HPGDSCA1CA2CPA1
SCHEMBL5970300 0.84 SIRT5 (0.52) SIRT5HPGDSCA1CA2CPA1
SCHEMBL5970942 0.84 SIRT5 (0.52) SIRT5HPGDSCA1CA2CPA1
SCHEMBL5970620 0.83 HPGDS (0.45) SIRT5HPGDSCA1CA2CPA1
SCHEMBL5970592 0.81 SIRT5 (0.54) SIRT5HPGDSCA1CA2CPA1
SCHEMBL5970251 0.80 SIRT5 (0.48) SIRT5HPGDSCA1CA2CPA1
SCHEMBL5970241 0.80 SIRT5 (0.48) SIRT5HPGDSCA1CA2CPA1
SCHEMBL5971029 0.80 SIRT5 (0.47) SIRT5HPGDSCA1CA2CPA1

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
Send feedback