SCHEMBL7353080

SCHEMBL7353080

CC(C(N)=O)N1CCC(C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.61
MMP9 P14780 11/20 0.61
ADAM17 P78536 9/20 0.58
MMP1 P03956 8/20 0.58
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MMP15 P51511 1/20 0.40
MMP16 P51512 1/20 0.40
ADAM33 Q9BZ11 1/20 0.40
SCN4A P35499 1/20 0.39

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
SCHEMBL7354605 0.93 MMP2 (0.59) MMP2MMP9ADAM17MMP1SMN1; SMN2
SCHEMBL6626830 0.87 MMP2 (0.79) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL7352853 0.86 ADAM17 (0.62) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL7352992 0.80 MMP2 (0.66) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL7351232 0.80 MMP2 (0.55) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6627039 0.80 MMP2 (0.78) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6628712 0.76 MMP2 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL7360865 0.74 ADAM17 (0.79) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6627898 0.73 ADAM17 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL7243883 0.71 ADAM17 (0.90) MMP2MMP9ADAM17MMP1MMP3

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-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed