SCHEMBL6046025

SCHEMBL6046025

O=C(C[C@@H](Cc1ccc(-c2ccccc2CO)cc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 1.00
MMP9 P14780 18/20 0.80
MMP1 P03956 11/20 0.80
MMP8 P22894 6/20 0.75
ADAMTS4 O75173 1/20 0.66
ADAMTS5 Q9UNA0 1/20 0.66

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
SCHEMBL6046021 1.00 MMP2 (1.00) MMP2MMP9MMP1MMP8ADAMTS4
SCHEMBL6046084 0.89 MMP9 (1.00) MMP2MMP9MMP1MMP8ADAMTS4
SCHEMBL6046150 0.89 MMP9 (1.00) MMP2MMP9MMP1MMP8ADAMTS4
SCHEMBL6046156 0.89 MMP9 (1.00) MMP2MMP9MMP1MMP8ADAMTS4
SCHEMBL6046092 0.89 MMP9 (1.00) MMP2MMP9MMP1MMP8ADAMTS4
SCHEMBL6046094 0.89 MMP9 (1.00) MMP2MMP9MMP1MMP8ADAMTS4
SCHEMBL6046088 0.89 MMP9 (1.00) MMP2MMP9MMP1MMP8ADAMTS4
SCHEMBL6046105 0.88 MMP9 (1.00) MMP2MMP9MMP1MMP8ADAMTS4
SCHEMBL6046100 0.88 MMP9 (1.00) MMP2MMP9MMP1MMP8ADAMTS4
SCHEMBL6045992 0.87 MMP9 (0.77) MMP2MMP9MMP1MMP8ADAMTS4

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
US-6576664-B1 1-amido-2-hydroxy-substituted-indanes; suppressing production of tumor necrosis factor BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-10 US claimed
US-20060281699-A1 Methods, compositions and compound assays for inhibiting amyloid-beta protein production MERCHIERS PASCAL G 2006-12-14 US disclosed