SCHEMBL1009433

SCHEMBL1009433

COC(=O)[C@@H](Br)CC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
CTSK P43235 7/20 0.40
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
CTSH P09668 2/20 0.37
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL1008660 1.00 ZDHHC7 (0.42) ZDHHC7CTSKCTSLCTSBCTSH
SCHEMBL1008531 0.98 CTSK (0.42) ZDHHC7CTSKCTSLCTSBCTSH
SCHEMBL1009204 0.96 ZDHHC7 (0.42) ZDHHC7CTSKCTSLCTSBCTSH
SCHEMBL25762636 0.92 ZDHHC7 (0.44) ZDHHC7CTSKTSHRTHRB
SCHEMBL11368057 0.92 ZDHHC7 (0.44) ZDHHC7CTSKTSHRTHRB
SCHEMBL1008853 0.84 ZDHHC7 (0.39) ZDHHC7
SCHEMBL5560916 0.81 METAP2 (0.41) CTSKTSHRNPSR1THRB
SCHEMBL16732113 0.80 CTSK (0.41) CTSKCTSLCTSBCTSHTSHR
SCHEMBL22123618 0.79 L3MBTL1 (0.37) CTSKTSHRNPSR1
SCHEMBL1711658 0.78 CTSK (0.41) CTSKCTSLCTSBCTSHTSHR

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-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed