SCHEMBL6628834

SCHEMBL6628834

CC(C(=O)NO)N1CCC(c2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.62
MMP9 P14780 5/20 0.62
MMP2 P08253 4/20 0.62
MMP13 P45452 2/20 0.49
MMP1 P03956 1/20 0.48
LTA4H P09960 2/20 0.45
ADAM33 Q9BZ11 2/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6627379 0.85 MMP2 (0.51) ADAM17MMP9MMP2MMP1
SCHEMBL6626860 0.83 MMP1 (0.55) ADAM17MMP9MMP2MMP13MMP1
SCHEMBL7425875 0.83 ADAM17 (0.68) ADAM17MMP9MMP2MMP13MMP1
SCHEMBL7428024 0.83 ADAM17 (0.68) ADAM17MMP9MMP2MMP13MMP1
SCHEMBL27517827 0.76 KCNH2 (0.48) ADAM17MMP13LTA4HLMNARAB9A
SCHEMBL6628455 0.76 MMP9 (1.00) ADAM17MMP9MMP2MMP13MMP1
SCHEMBL6629399 0.75 MMP2 (0.75) ADAM17MMP9MMP2MMP13MMP1
SCHEMBL7427250 0.74 ADAM17 (0.67) ADAM17MMP9MMP2MMP13MMP1
Trifluoroacetic Acid SCHEMBL6628306 0.73 ADAM17 (0.41) ADAM17MMP9MMP2MMP1
SCHEMBL17315811 0.73 ADAM17 (0.68) ADAM17MMP9MMP2MMP13MMP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027332-B1 NOVEL LACTAM METALLOPROTEASE INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-05-26 EP claimed