SCHEMBL7384101

SCHEMBL7384101

CC(C)Oc1cccc(C2(C)CCN(C(C)C(N)=O)C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.51
MMP9 P14780 11/20 0.51
MMP1 P03956 8/20 0.51
ADAM17 P78536 9/20 0.50
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
MMP15 P51511 1/20 0.39
MMP16 P51512 1/20 0.39
ADAM33 Q9BZ11 1/20 0.39
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL7247215 0.86 MMP2 (0.71) MMP2MMP9MMP1ADAM17MEN1
SCHEMBL7359520 0.80 ADAM17 (0.76) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7352853 0.75 ADAM17 (0.62) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7253290 0.73 MMP2 (0.80) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL6629464 0.73 MMP2 (0.80) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7355036 0.72 MMP2 (0.74) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7351232 0.72 MMP2 (0.55) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7360865 0.70 ADAM17 (0.79) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL22147750 0.69 BACE1 (0.46) KMT2A
SCHEMBL21823203 0.68 ADAM17 (0.81) MMP2MMP9MMP1ADAM17MMP3

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