SCHEMBL20979754

SCHEMBL20979754

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.48
▸ MME P08473 2/20 0.46
▸ CTSK P43235 2/20 0.46
▸ BIRC2 Q13490 1/20 0.45
▸ ANPEP P15144 1/20 0.45
▸ LTA4H P09960 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43

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
SCHEMBL20979753 0.83 MME (0.50) MMEBIRC2LTA4H
SCHEMBL23323811 0.80 MME (0.44) MMEBIRC2ANPEPLTA4HMMP1
SCHEMBL20979806 0.79 MMP9 (0.44) CTSBMMECTSKBIRC2ANPEP
SCHEMBL29398302 0.77 CTSK (0.59) CTSBCTSK
SCHEMBL27726507 0.77 CTSK (0.59) CTSBCTSK
SCHEMBL7374655 0.77 CTSK (0.59) CTSBCTSK
SCHEMBL18256327 0.77 CTSK (0.53) CTSBCTSK
SCHEMBL23269880 0.77 CTSK (0.53) CTSBCTSK
SCHEMBL18248005 0.77 CTSK (0.53) CTSBCTSK
SCHEMBL19088457 0.77 CTSK (0.53) CTSBCTSK

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
Send feedback