SCHEMBL6632077

SCHEMBL6632077

Cc1cc(COc2ccc(C3(C)CCN(C(CCNC(=O)CNC(=O)CNC(=O)O)C(=O)NO)C3=O)cc2)cc(C)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.57
MMP9 P14780 12/20 0.57
MMP1 P03956 9/20 0.57
ADAM17 P78536 11/20 0.55
MMP3 P08254 3/20 0.55
MMP7 P09237 2/20 0.55
MMP8 P22894 2/20 0.55
MMP13 P45452 2/20 0.55
MMP14 P50281 2/20 0.55
MMP15 P51511 1/20 0.55
MMP16 P51512 1/20 0.55
ADAM33 Q9BZ11 1/20 0.55
ADAM10 O14672 1/20 0.46

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
SCHEMBL6630601 0.99 MMP2 (0.58) MMP2MMP9MMP1ADAM17MMP3
Trifluoroacetic Acid SCHEMBL6626516 0.96 ADAM17 (0.54) MMP2MMP9MMP1ADAM17MMP3
Trifluoroacetic Acid SCHEMBL6627722 0.95 ADAM17 (0.55) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL6632351 0.94 MMP2 (0.62) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL7354266 0.92 MMP2 (0.53) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL6628088 0.91 MMP2 (0.51) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL6628081 0.90 MMP2 (0.52) MMP2MMP9MMP1ADAM17MMP3
Trifluoroacetic Acid SCHEMBL6629410 0.90 ADAM17 (0.58) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL6626521 0.89 ADAM17 (0.48) MMP2MMP9MMP1ADAM17MMP3
SCHEMBL6627636 0.89 MMP2 (0.60) 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 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