SCHEMBL4369618

SCHEMBL4369618

COCCN/C(=N\C#N)NCCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 13/20 0.51
MMP13 P45452 2/20 0.49
MMP1 P03956 5/20 0.48
MMP2 P08253 5/20 0.48
MMP9 P14780 5/20 0.48
MMP14 P50281 4/20 0.48
ADAM17 P78536 3/20 0.48
ADAMTS4 O75173 1/20 0.46
ADAMTS1 Q9UHI8 1/20 0.46
ADAMTS7 Q9UKP4 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
ADAM10 O14672 1/20 0.45

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
SCHEMBL1800964 0.93 ADAM17 (0.47) BMP1MMP13MMP1MMP2MMP9
SCHEMBL1801225 0.92 BMP1 (0.51) BMP1MMP13MMP1MMP2MMP9
SCHEMBL1800811 0.86 BMP1 (0.51) BMP1MMP13MMP1MMP2MMP9
SCHEMBL1800828 0.85 BMP1 (0.51) BMP1MMP13MMP1MMP2MMP9
SCHEMBL1800002 0.84 ADAM17 (0.45) BMP1MMP13MMP1MMP2MMP9
SCHEMBL4381231 0.84 BMP1 (0.43) BMP1MMP13MMP1MMP2MMP9
SCHEMBL1799495 0.84 ADAM17 (0.47) BMP1MMP13MMP1MMP2MMP9
SCHEMBL1798434 0.80 ADAM17 (0.43) BMP1MMP1MMP2MMP9MMP14
SCHEMBL3872450 0.78 MMP13 (0.56) BMP1MMP13MMP1MMP2MMP9
SCHEMBL4371607 0.78 MMP2 (0.44) BMP1MMP13MMP2MMP9MMP14

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-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed