SCHEMBL8340443

SCHEMBL8340443

CC1CCC(CNC(=O)c2cc(-c3ccc(-c4ccncc4)cc3)cs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 8/20 0.55
MMP13 P45452 2/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
ROCK2 O75116 8/20 0.45
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
USP30 Q70CQ3 1/20 0.43
ROCK1 Q13464 1/20 0.41
MAPK14 Q16539 1/20 0.41
HIF1A Q16665 1/20 0.40

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
SCHEMBL6457597 0.88 HDAC4 (0.56) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6455095 0.87 MMP12 (0.71) MMP12MMP13MMP3MMP9MMP8
Hydrochloric Acid SCHEMBL6881474 0.86 MMP12 (0.70) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6882247 0.84 MMP12 (0.56) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6450858 0.77 HDAC6 (0.57) MMP12MMP13ROCK2HDAC4HDAC6
SCHEMBL6456462 0.77 MMP12 (0.72) MMP12HDAC4HDAC6HIF1A
SCHEMBL6874296 0.76 MMP12 (0.68) MMP12HDAC4HDAC6MAPK14
SCHEMBL6452267 0.76 MMP12 (0.68) MMP12HDAC4HDAC6MAPK14
SCHEMBL6463535 0.76 MMP12 (0.88) MMP12MMP13MMP8HDAC4HDAC6
SCHEMBL6882179 0.74 MMP12 (0.57) MMP12MMP13MMP8HDAC4HDAC6

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-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed