SCHEMBL370702

SCHEMBL370702

NCCOCCOCCNC(=O)CCCC(=O)NCCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.45
MMP9 P14780 4/20 0.45
MMP3 P08254 2/20 0.45
MMP13 P45452 2/20 0.40
MMP8 P22894 1/20 0.40
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
EPOR P19235 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35

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
SCHEMBL300807 0.96 MMP2 (0.49) MMP2MMP9MMP3MMP13MMP8
SCHEMBL271378 0.91 MMP2 (0.54) MMP2MMP9MMP3MMP13MMP8
SCHEMBL12456519 0.88 MMP2 (0.43) MMP2MMP9MMP3MMP13MMP8
SCHEMBL271537 0.85 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP8
SCHEMBL271155 0.85 SMN1; SMN2 (0.44) MMP2MMP9MMP3MMP13MMP8
SCHEMBL12457434 0.84 MMP2 (0.47) MMP2MMP9MMP3MMP13MMP8
SCHEMBL300822 0.84 MMP2 (0.53) MMP2MMP9MMP3MMP13MMP8
SCHEMBL271111 0.84 LMNA (0.42) MMP2MMP9MMP3MMP13MMP8
SCHEMBL300808 0.82 SMN1; SMN2 (0.47) MMP2MMP9MMP3MMP13MMP8
SCHEMBL265249 0.80 MMP2 (0.40) MMP2MMP9MMP3MMP13MMP8

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
US-8133743-B2 Phenobarbital derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2012-03-13 US disclosed