SCHEMBL5970159

SCHEMBL5970159

CC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(OC(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 1/20 0.44
▸ CPA2 P48052 1/20 0.44
▸ CPA4 Q9UI42 1/20 0.44
▸ PLG P00747 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ HDAC1 Q13547 5/20 0.41
▸ HDAC4 P56524 4/20 0.41
▸ SIRT1 Q96EB6 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC3 O15379 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40

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
SCHEMBL5970151 0.85 CPA1 (0.46) CPA1CPA2CPA4PLGSIRT5
SCHEMBL5970337 0.83 HDAC4 (0.44) SIRT5HDAC1HDAC4SIRT1HDAC3
SCHEMBL5970275 0.80 SIRT5 (0.54) SIRT5CA1CA2HDAC1HDAC4
SCHEMBL5970128 0.80 SIRT5 (0.44) CPA1CPA2CPA4PLGSIRT5
SCHEMBL5970177 0.79 PLG (0.48) CPA1CPA2CPA4PLGSIRT5
SCHEMBL5970389 0.78 CPA1 (0.43) CPA1CPA2CPA4PLGSIRT5
SCHEMBL5970592 0.78 SIRT5 (0.54) CPA1CPA2CPA4SIRT5CA1
SCHEMBL5970299 0.78 FNTA (0.46) CPA1CPA2CPA4SIRT5HDAC1
SCHEMBL5970296 0.78 CPA1 (0.43) CPA1CPA2CPA4PLGSIRT5
SCHEMBL5970328 0.78 ALDH1A1 (0.47) CPA1CPA2CPA4PLGSIRT5

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