SCHEMBL6956221

SCHEMBL6956221

Cc1cc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C)CC3)CC2)ccc1-c1cccc(OCCO)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.68
MMP3 P08254 10/20 0.68
MMP9 P14780 8/20 0.68
MMP1 P03956 6/20 0.68
MMP14 P50281 2/20 0.68
MMP13 P45452 7/20 0.37
ADAM17 P78536 6/20 0.37
HDAC4 P56524 1/20 0.33
ADAM10 O14672 2/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL6964678 0.92 MMP2 (0.67) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6964593 0.92 MMP2 (0.67) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6971907 0.92 MMP2 (0.65) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6968614 0.92 MMP2 (0.64) MMP2MMP3MMP9MMP1MMP14
Hydrochloric Acid SCHEMBL6965337 0.91 MMP2 (0.66) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6434330 0.91 MMP2 (0.63) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6435951 0.90 MMP3 (0.69) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6435947 0.90 MMP3 (0.69) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6435956 0.90 MMP3 (0.69) MMP2MMP3MMP9MMP1MMP14
SCHEMBL6959147 0.90 MMP2 (0.66) MMP2MMP3MMP9MMP1MMP14

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-1181017-B1 METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-04-16 EP claimed