SCHEMBL3518692

SCHEMBL3518692

Cc1cc(F)ccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(ON)[C@@H]2C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.70
ADAM17 P78536 9/20 0.70
MMP13 P45452 2/20 0.59
ADAMTS4 O75173 1/20 0.58
TNF P01375 1/20 0.58
MMP2 P08253 1/20 0.58
MMP3 P08254 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP14 P50281 1/20 0.58
ADAMTS1 Q9UHI8 1/20 0.58
ADAMTS5 Q9UNA0 1/20 0.58

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
SCHEMBL2732012 1.00 MMP1 (0.70) MMP1ADAM17MMP13ADAMTS4TNF
SCHEMBL14845222 0.91 MMP1 (0.70) MMP1ADAM17MMP13ADAMTS4TNF
Hydroxyamine SCHEMBL3518697 0.90 MMP1 (0.80) MMP1ADAM17MMP13ADAMTS4TNF
Hydroxyamine SCHEMBL28747887 0.90 MMP1 (0.80) MMP1ADAM17MMP13ADAMTS4TNF
SCHEMBL1817324 0.90 MMP1 (0.83) MMP1ADAM17MMP13ADAMTS4TNF
SCHEMBL14639265 0.90 MMP1 (0.83) MMP1ADAM17MMP13ADAMTS4TNF
SCHEMBL3518695 0.87 MMP1 (0.79) MMP1ADAM17MMP13ADAMTS4TNF
SCHEMBL28747886 0.87 MMP1 (0.79) MMP1ADAM17MMP13ADAMTS4TNF
SCHEMBL138143 0.82 MMP1 (1.00) MMP1ADAM17MMP13ADAMTS4TNF
SCHEMBL25833 0.82 MMP1 (1.00) MMP1ADAM17MMP13ADAMTS4TNF

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-20100260769-A1 ENDOSIALIN BINDING MOLECULES MORPHOTEK, INC. (US) 2010-10-14 US disclosed