SCHEMBL14639265

SCHEMBL14639265

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

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 20/20 0.83
ADAM17 P78536 9/20 0.83
ADAMTS4 O75173 1/20 0.69
TNF P01375 1/20 0.69
MMP2 P08253 1/20 0.69
MMP3 P08254 1/20 0.69
MMP9 P14780 1/20 0.69
MMP8 P22894 1/20 0.69
MMP13 P45452 1/20 0.69
MMP14 P50281 1/20 0.69
ADAMTS1 Q9UHI8 1/20 0.69
ADAMTS5 Q9UNA0 1/20 0.69

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
SCHEMBL1817324 1.00 MMP1 (0.83) MMP1ADAM17ADAMTS4TNFMMP2
Hydroxyamine SCHEMBL28747887 0.98 MMP1 (0.80) MMP1ADAM17ADAMTS4TNFMMP2
Hydroxyamine SCHEMBL3518697 0.98 MMP1 (0.80) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL28747886 0.91 MMP1 (0.79) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL3518695 0.91 MMP1 (0.79) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL138144 0.91 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL25833 0.91 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL138143 0.91 MMP1 (1.00) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL17479343 0.90 MMP1 (0.83) MMP1ADAM17ADAMTS4TNFMMP2
SCHEMBL3518692 0.90 MMP1 (0.70) MMP1ADAM17ADAMTS4TNFMMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734205-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS Tolero Pharmaceuticals, Inc. (US) 2014-05-28 EP disclosed
WO-2013013188-A1 HETEROCYCLIC PROTEIN KINASE INHIBITORS TOLERO PHARMACEUTICALS, INC. (US) 2013-01-24 WO disclosed