SCHEMBL4739692

SCHEMBL4739692

CSCC[C@H](NC(=O)[C@@H](CSSC[C@@H](Cc1ccccc1C)C(=O)N[C@H](CCSC)C(=O)O)Cc1ccccc1C)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
MME P08473 1/20 0.52
ANPEP P15144 1/20 0.52
FNTA P49354 6/20 0.49
FNTB P49356 6/20 0.49
PGGT1B P53609 6/20 0.49

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
SCHEMBL4729124 1.00 LTA4H (0.56) LTA4HMMEANPEPFNTAFNTB
SCHEMBL4729126 1.00 LTA4H (0.56) LTA4HMMEANPEPFNTAFNTB
SCHEMBL21239952 0.91 LTA4H (0.53) LTA4HMMEANPEPFNTAFNTB
SCHEMBL21239953 0.91 LTA4H (0.53) LTA4HMMEANPEPFNTAFNTB
SCHEMBL387497 0.90 FNTA (0.56) LTA4HFNTAFNTBPGGT1B
SCHEMBL29445856 0.90 FNTA (0.56) LTA4HFNTAFNTBPGGT1B
SCHEMBL387498 0.90 FNTA (0.56) LTA4HFNTAFNTBPGGT1B
SCHEMBL20558575 0.90 FNTA (0.56) LTA4HFNTAFNTBPGGT1B
SCHEMBL392068 0.90 FNTA (0.56) LTA4HFNTAFNTBPGGT1B
SCHEMBL29445855 0.90 FNTA (0.56) LTA4HFNTAFNTBPGGT1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951309-A2 COMBINATION OF AN ANGIOTENSIN II RECEPTOR BLOCKER, A CALCIUM CHANNEL BLOCKER AND ANOTHER ACTIVE AGENT Novartis AG (CH) 2008-08-06 EP claimed
WO-2007056324-A2 COMBINATION OF AN ANGIOTENSIN II RECEPTOR BLOCKER, A CALCIUM CHANNEL BLOCKER AND ANOTHER ACTIVE AGENT NOVARTIS AG (CH) 2007-05-18 WO claimed