SCHEMBL6554608

SCHEMBL6554608

CC(C)C[C@H](NC(=O)C(S)CCN1C(=O)N(C)C(C)(C)C1=O)C(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.84
MMP1 P03956 12/20 0.84
MMP3 P08254 11/20 0.84
MMP2 P08253 6/20 0.84
MMP13 P45452 6/20 0.84
MMP7 P09237 1/20 0.84
MMP14 P50281 1/20 0.84
MMP8 P22894 3/20 0.48
ADAM17 P78536 1/20 0.37
MME P08473 2/20 0.36
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
RRM1 P23921 1/20 0.31
RRM2 P31350 1/20 0.31
RRM2B Q7LG56 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL7254495 1.00 MMP9 (0.84) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL2379355 0.91 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL4826862 0.91 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL645121 0.91 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL12247619 0.91 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL12946005 0.91 MMP1 (1.00) MMP9MMP1MMP3MMP2MMP13
SCHEMBL12300383 0.90 MMP1 (0.83) MMP9MMP1MMP3MMP2MMP13
SCHEMBL6554365 0.89 MMP2 (0.67) MMP9MMP1MMP3MMP2MMP13
Rebimastat SCHEMBL12247617 0.89 MMP1 (0.88) MMP9MMP1MMP3MMP2MMP13
SCHEMBL1649754 0.89 MMP3 (0.78) MMP9MMP1MMP3MMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390018-A1 A PHARMACEUTICAL TABLET HAVING A HIGH API CONTENT Bristol-Myers Squibb Company (US) 2004-02-25 EP claimed
WO-2002087548-A1 A PHARMACEUTICAL TABLET HAVING A HIGH API CONTENT BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-07 WO claimed
EP-1390011-A2 CONTROL OF COMPACTABILITY THROUGH CRYSTALLIZATION Bristol-Myers Squibb Company (US) 2004-02-25 EP disclosed
WO-2002088664-A2 CONTROL OF COMPACTABILITY THROUGH CRYSTALLIZATION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-07 WO disclosed