SCHEMBL5970307

SCHEMBL5970307

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPA1 P15085 1/20 0.42
▸ CPA2 P48052 1/20 0.42
▸ CPA4 Q9UI42 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.40
▸ FNTA P49354 4/20 0.39
▸ FNTB P49356 4/20 0.39
▸ PGGT1B P53609 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ PLG P00747 1/20 0.39
▸ HDAC1 Q13547 4/20 0.38
▸ ERAP2 Q6P179 2/20 0.38
▸ LNPEP Q9UIQ6 2/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37

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
SCHEMBL5971029 0.93 SIRT5 (0.47) CPA1CPA2CPA4SIRT5HDAC1
SCHEMBL5970299 0.88 FNTA (0.46) CPA1CPA2CPA4SIRT5FNTA
SCHEMBL5970238 0.87 CPA1 (0.42) CPA1CPA2CPA4SIRT5FNTA
SCHEMBL5970151 0.85 CPA1 (0.46) CPA1CPA2CPA4SIRT5PLG
SCHEMBL5970128 0.84 SIRT5 (0.44) CPA1CPA2CPA4SIRT5FNTA
SCHEMBL5970243 0.83 FNTA (0.45) CPA1CPA2CPA4SIRT5FNTA
SCHEMBL5970177 0.83 PLG (0.48) CPA1CPA2CPA4SIRT5FNTA
SCHEMBL5970296 0.82 CPA1 (0.43) CPA1CPA2CPA4SIRT5FNTA
SCHEMBL5970389 0.82 CPA1 (0.43) CPA1CPA2CPA4SIRT5FNTA
SCHEMBL5970592 0.82 SIRT5 (0.54) CPA1CPA2CPA4SIRT5HDAC1

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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