SCHEMBL4610244

SCHEMBL4610244

COC(=O)C(CCC1CCNCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.43
CTSS P25774 3/20 0.43
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
F2R P25116 1/20 0.43
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CACNA1B Q00975 3/20 0.39
KLK5 Q9Y337 1/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ITGAV P06756 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 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
SCHEMBL12025777 1.00 CTSK (0.43) CTSKCTSSITGB3ITGA2BF2R
SCHEMBL4610242 1.00 CTSK (0.43) CTSKCTSSITGB3ITGA2BF2R
SCHEMBL26448028 0.90 CTSK (0.51) CTSKCTSSITGB3ITGA2BNFKB1
SCHEMBL26087420 0.90 CTSK (0.51) CTSKCTSSITGB3ITGA2BNFKB1
SCHEMBL17373551 0.88 CTSS (0.53) CTSKCTSSITGB3ITGA2BF2R
SCHEMBL6386727 0.88 CTSS (0.53) CTSKCTSSITGB3ITGA2BF2R
SCHEMBL27444793 0.86 CTSK (0.54) CTSKCTSSITGB3ITGA2BNFKB1
SCHEMBL23836574 0.83 CTSS (0.48) CTSKCTSSITGB3ITGA2BF2R
SCHEMBL12025751 0.83 ITGB3 (0.45) CTSKCTSSITGB3ITGA2BNFKB1
SCHEMBL12025778 0.83 ITGB3 (0.45) CTSKCTSSITGB3ITGA2BNFKB1

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-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 EP disclosed