SCHEMBL7102658

SCHEMBL7102658

CC(C)(C)OC(=O)NC(C(=O)NCCNc1ccccc1)C(=O)NCCNc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.49
CTSS P25774 9/20 0.49
MALT1 Q9UDY8 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
AKT1 P31749 1/20 0.47
BCHE P06276 2/20 0.44
ATM Q13315 1/20 0.43
ACHE P22303 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
MMP13 P45452 1/20 0.42

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
SCHEMBL7203913 0.84 MALT1 (0.59) CTSKMALT1BCHE
SCHEMBL7103984 0.83 CTSK (0.60) CTSKCTSSCTSLCTSBAKT1
SCHEMBL7104136 0.81 CYP2D6 (0.58) CTSKCTSSCTSLCTSBAKT1
SCHEMBL7102367 0.80 ATM (0.59) CTSKCTSSCTSLCTSBAKT1
SCHEMBL4899444 0.77 MALT1 (0.54) CTSKCTSSMALT1BCHEHDAC1
SCHEMBL10126784 0.76 MEN1 (0.53) MALT1BCHE
SCHEMBL7414006 0.76 BACE1 (0.40) CTSKCTSSCTSLCTSBATM
SCHEMBL13257888 0.75 ATM (0.50) CTSKCTSSCTSLCTSBATM
SCHEMBL21224591 0.75 TDP1 (0.58) MALT1
SCHEMBL13257955 0.75 ATM (0.50) CTSKCTSSCTSLCTSBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed