SCHEMBL7762815

SCHEMBL7762815

CNC(=O)[C@H](CCN)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.50
CTSS P25774 10/20 0.50
CTSL P07711 3/20 0.43
CTSB P07858 2/20 0.43
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 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
SCHEMBL7762812 1.00 CTSK (0.50) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL7983013 0.91 CTSK (0.52) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL13331669 0.91 CTSK (0.52) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL13331673 0.89 CTSK (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7369800 0.89 CTSK (0.51) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL6242337 0.87 CTSS (0.48) CTSKCTSSCTSLCTSBCA1
SCHEMBL24815329 0.85 CTSK (0.67) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL18467225 0.85 CTSK (0.67) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL29979228 0.85 CTSK (0.51) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL30483892 0.84 BMP1 (0.48) CTSKCTSSCTSLCTSBHDAC4

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-1101492-A1 NOVEL REMEDIES FOR ALLERGIC DISEASES FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2001-05-23 EP disclosed
EP-1038864-A1 NOVEL METALLOPROTEINASE INHIBITORS FUJI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 2000-09-27 EP disclosed