SCHEMBL7486161

SCHEMBL7486161

Cc1cc(COc2ccccc2N2CC[C@H]([C@H](OC(=O)C(F)(F)F)C(=O)NO)C2=O)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 15/20 0.62
MMP2 P08253 9/20 0.58
MMP9 P14780 4/20 0.58
MMP1 P03956 2/20 0.55
MMP3 P08254 2/20 0.45
MMP7 P09237 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
MMP14 P50281 1/20 0.45
MMP15 P51511 1/20 0.45
MMP16 P51512 1/20 0.45
ADAM33 Q9BZ11 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
SCHEMBL7665720 0.89 ADAM17 (0.80) ADAM17MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7431539 0.82 ADAM17 (0.57) ADAM17MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7661679 0.78 ADAM17 (0.92) ADAM17MMP2MMP9MMP1
SCHEMBL7664231 0.77 ADAM17 (1.00) ADAM17MMP2MMP9MMP1
SCHEMBL7425028 0.77 ADAM17 (1.00) ADAM17MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7665967 0.76 ADAM17 (0.91) ADAM17MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7673481 0.76 ADAM17 (0.83) ADAM17MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7669866 0.75 ADAM17 (0.91) ADAM17MMP2MMP9MMP1
Trifluoroacetic Acid SCHEMBL7430366 0.75 ADAM17 (0.59) ADAM17MMP2MMP9MMP1MMP3
Trifluoroacetic Acid SCHEMBL7661485 0.75 ADAM17 (0.91) ADAM17MMP2MMP9MMP1

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-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed