SCHEMBL20979808

SCHEMBL20979808

CC(C)CC(C(=O)O[C@H](C)C(=O)O)N(C)C(=O)[C@H](O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
LTA4H P09960 1/20 0.40
HPGD P15428 1/20 0.39
ACE P12821 1/20 0.39
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
CTSB P07858 2/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL20979862 0.79 MMP2 (0.38) MMP2MMP9LTA4HACECA12
SCHEMBL20979822 0.76 MMP2 (0.39) MMP2MMP9LTA4HACECA12
SCHEMBL17520700 0.76 MMP2 (0.41) MMP2MMP9LTA4HHPGDACE
SCHEMBL23323457 0.75 MMP2 (0.38) MMP2MMP9LTA4HACECA12
SCHEMBL10880308 0.72 CTSB (0.54) MMP2MMP9LTA4HHPGDCTSB
SCHEMBL22909615 0.72 LTA4H (0.43) MMP2MMP9LTA4HMMEBIRC2
SCHEMBL26544275 0.72 PSMB5 (0.33) MMP2MMP9HPGDCA12CA2
SCHEMBL26542753 0.72 AAK1 (0.38) MMP2MMP9CTSBCTSLCTSS
SCHEMBL21561569 0.72 HPGD (0.41) MMP2MMP9HPGDCA12CA2
SCHEMBL10512137 0.72 CYP1A2 (0.58) LTA4HANPEPRNPEPDNPEPMME

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-3480195-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES Bayer Animal Health GmbH (DE) 2019-05-08 EP disclosed