SCHEMBL8509501

SCHEMBL8509501

CCCCCCCC(CCCC)NC(=O)C(CCc1ccccc1)C(=O)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.56
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.49
MMP3 P08254 8/20 0.46
MMP9 P14780 1/20 0.46
CNR2 P34972 1/20 0.46
HDAC8 Q9BY41 5/20 0.46
HDAC3 O15379 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MMP2 P08253 7/20 0.45
MMP1 P03956 6/20 0.45
MMP7 P09237 6/20 0.45

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
SCHEMBL8509113 0.89 MMP8 (0.53) MMP8MMP3HDAC8HDAC3HDAC1
SCHEMBL8509536 0.85 MMP8 (0.47) MMP8TSHRMMP3MMP9HDAC8
SCHEMBL8508383 0.82 MMP8 (0.78) MMP8TSHR
SCHEMBL8508113 0.82 MMP8 (0.78) MMP8TSHR
SCHEMBL8509069 0.82 MMP8 (0.62) MMP8TSHR
SCHEMBL7355911 0.79 MMP8 (0.51) MMP8POLBMMP3MMP9CNR2
SCHEMBL8506912 0.79 MMP8 (0.60) MMP8TSHR
SCHEMBL7351766 0.78 MMP2 (0.59) MMP8MMP3MMP9MMP2MMP1
SCHEMBL7361305 0.76 MMP3 (0.46) POLBMMP3MMP9CNR2MMP2
SCHEMBL8508880 0.76 MMP8 (0.70) MMP8

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
EP-0911319-A1 Malonic acid based matrix metalloproteinase inhibitors Roche Diagnostics GmbH (DE) 1999-04-28 EP disclosed