SCHEMBL6135428

SCHEMBL6135428

CC(CO)c1ccc(Br)c[n+]1[O-]

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.31
MMP1 P03956 2/20 0.30
MMP2 P08253 2/20 0.30
MMP3 P08254 2/20 0.30
MMP7 P09237 2/20 0.30
MMP9 P14780 2/20 0.30
MMP13 P45452 2/20 0.30

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
SCHEMBL6641485 0.74
SCHEMBL5144705 0.68
SCHEMBL2160030 0.67 PLCG1 (0.31) PLCG1
SCHEMBL3858792 0.66 ABCB11 (0.44)
SCHEMBL5878306 0.66 ABCB11 (0.44)
SCHEMBL3858793 0.66 ABCB11 (0.44)
SCHEMBL6904464 0.64 ABCB11 (0.33)
SCHEMBL304451 0.63
SCHEMBL6321461 0.63 MMP2 (0.56) MMP1MMP2MMP3MMP7MMP9
SCHEMBL5943305 0.63 MLYCD (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592419-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION Merck Frosst Canada & Co. (CA) 2005-11-09 EP disclosed
EP-1565466-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 Merck & Co., Inc. (US) 2005-08-24 EP disclosed
EP-1436290-A1 ALKYNE-ARYL-NAPHTHYRIDIN-4(1H)-0NE DERIVATIVES AS TYPE IV PHOSPHODIESTERASE INHIBITOR Merck Frosst Canada & Co. (CA) 2004-07-14 EP disclosed
WO-2004048377-A2 METHOD OF PREPARING INHIBITORS OF PHOSPHODIESTERASE-4 MERCK & CO., INC. (US) 2004-06-10 WO disclosed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 WO disclosed