SCHEMBL7350488

SCHEMBL7350488

CC(C(=O)NO)N1CC[C@@](NC(=O)NCCN2CCOCC2)(c2ccc(OCc3cc(Cl)nc(Cl)c3)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.50
MMP9 P14780 8/20 0.50
MMP1 P03956 4/20 0.50
ADAM17 P78536 7/20 0.48
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MMP15 P51511 1/20 0.43
MMP16 P51512 1/20 0.43
ADAM33 Q9BZ11 1/20 0.43
TACR2 P21452 5/20 0.39
AURKB Q96GD4 1/20 0.38

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
SCHEMBL6630275 0.84 MMP2 (0.52) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7472135 0.83 ADAM17 (0.58) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7354732 0.83 ADAM17 (0.60) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL6628825 0.82 MMP2 (0.57) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7362674 0.81 MMP2 (0.53) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7421348 0.80 ADAM17 (0.61) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7469593 0.80 ADAM17 (0.51) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7361032 0.80 MMP2 (0.54) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL6628534 0.79 MMP2 (0.55) MMP2MMP9MMP1ADAM17MMP3
Trifluoroacetic Acid SCHEMBL6626493 0.78 ADAM17 (0.54) 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