SCHEMBL6507203

SCHEMBL6507203

COc1cccc(OCCN(Cc2ccc(Br)nc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.41
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP13 P45452 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
F2 P00734 3/20 0.38
SSTR4 P31391 1/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
SLC2A4 P14672 3/20 0.37
SLC2A8 Q9NY64 1/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NR1H3 Q13133 1/20 0.36

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
SCHEMBL6512171 0.89 SSTR4 (0.41) MMP2MMP9MMP8MMP13F2
SCHEMBL17726555 0.84 SLC2A1 (0.48) SLC2A1F2MAOBLMNAKDM4E
SCHEMBL109277 0.84 SSTR4 (0.44) MMP2MMP9MMP8MMP13SSTR4
SCHEMBL29563667 0.84 SSTR4 (0.44) MMP2MMP9MMP8MMP13SSTR4
SCHEMBL6508209 0.83 SSTR4 (0.44) MMP2MMP9MMP8MMP13SSTR4
SCHEMBL16468138 0.81 SLC2A1 (0.41) SLC2A1MTNR1AMTNR1BF2BCHE
SCHEMBL6510214 0.80 SSTR4 (0.57) MMP2MMP9MMP8MMP13SSTR4
SCHEMBL23081661 0.79 SSTR4 (0.45) MMP2MMP9MMP8MMP13SSTR4
SCHEMBL16467891 0.78 SLC2A1 (0.50) SLC2A1MAOBACHELMNAKDM4E
SCHEMBL2531765 0.75 SSTR4 (0.39) MMP2MMP9MMP8MMP13SSTR4

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-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO disclosed