SCHEMBL5970337

SCHEMBL5970337

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.44
▸ MEF2D Q14814 2/20 0.44
▸ SIRT2 Q8IXJ6 7/20 0.43
▸ SIRT1 Q96EB6 6/20 0.43
▸ SIRT5 Q9NXA8 5/20 0.43
▸ HPGDS O60760 1/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ SIRT3 Q9NTG7 2/20 0.41
▸ EP300 Q09472 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ KLKB1 P03952 1/20 0.39

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 0.91 SIRT5 (0.54) HDAC4SIRT2SIRT1SIRT5HPGDS
SCHEMBL5970969 0.89 SIRT5 (0.53) HDAC4SIRT2SIRT1SIRT5HDAC1
SCHEMBL5970333 0.87 HDAC4 (0.45) HDAC4MEF2DSIRT2SIRT1SIRT5
SCHEMBL5970159 0.83 CPA1 (0.44) HDAC4SIRT1SIRT5HDAC1HDAC3
SCHEMBL5970452 0.82 SIRT5 (0.57) HDAC4SIRT2SIRT1SIRT5HDAC1
SCHEMBL5970139 0.79 SIRT5 (0.55) HDAC4SIRT2SIRT1SIRT5HPGDS
SCHEMBL5970983 0.79 SIRT5 (0.55) HDAC4SIRT2SIRT1SIRT5HPGDS
SCHEMBL5970497 0.78 SIRT5 (0.53) HDAC4MEF2DSIRT2SIRT1SIRT5
SCHEMBL5970494 0.78 SIRT5 (0.53) HDAC4MEF2DSIRT2SIRT1SIRT5
SCHEMBL5970251 0.78 SIRT5 (0.48) HDAC4MEF2DSIRT2SIRT1SIRT5

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