SCHEMBL7417898

SCHEMBL7417898

CC(C)(C)OC(=O)NC(C(N)=O)C(=O)N(CCCc1ccccc1)CCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.47
CTSS P25774 3/20 0.47
ATM Q13315 1/20 0.45
BACE1 P56817 2/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 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
SCHEMBL7414006 0.83 BACE1 (0.40) CTSKCTSSATMBACE1CTSL
SCHEMBL7419681 0.82 PPARG (0.44) CTSKPPARAPPARG
SCHEMBL9538641 0.76 CTSK (0.59) CTSKCTSS
SCHEMBL7104136 0.76 CYP2D6 (0.58) CTSKCTSSCTSLCTSB
SCHEMBL7417386 0.75 MME (0.50)
SCHEMBL6802106 0.75 CTSK (0.68) CTSKCTSSATMCTSLCTSB
SCHEMBL27962256 0.74 CTSK (0.56) CTSKCTSSATMCTSLCTSB
SCHEMBL9438871 0.74 CTSK (0.57) CTSKCTSSCTSLCTSB
SCHEMBL24095930 0.73 CTSK (0.50) CTSKCTSSBACE1CTSLCTSB
SCHEMBL1374859 0.73 CTSK (0.63) CTSKCTSSATMCTSLCTSB

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-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