SCHEMBL7367960

SCHEMBL7367960

CCCCC(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.60
CTSS P25774 7/20 0.58
CTSL P07711 2/20 0.47
CTSB P07858 1/20 0.47
CXCR3 P49682 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
REN P00797 1/20 0.46

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
SCHEMBL8083712 0.89 CTSK (0.67) CTSKCTSSHDAC4HDAC1REN
SCHEMBL7372337 0.85 CTSS (0.57) CTSKCTSSCTSLCTSBREN
SCHEMBL7372683 0.85 CTSS (0.57) CTSKCTSSCTSLCTSBREN
SCHEMBL7369435 0.82 CTSK (0.52) CTSKCTSSCTSLCTSB
SCHEMBL9300286 0.81 TSHR (0.54) CTSKCTSS
SCHEMBL26436628 0.81 CTSK (0.79) CTSKCTSSCTSLCTSB
SCHEMBL11120949 0.81 CTSS (0.64) CTSKCTSSCTSLCTSB
SCHEMBL2118971 0.80 CTSK (0.74) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL10605035 0.80 CTSK (0.74) CTSKCTSSCTSLCTSBHDAC4
SCHEMBL7371036 0.80 CTSS (0.55) CTSKCTSS

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
WO-1994027958-A1 4-AMIDINOPHENYLSULPHONAMIDES FOR THE TREATMENT OF THROMBO-EMBOLITIC CONDITIONS BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 WO disclosed