SCHEMBL8888422

SCHEMBL8888422

COc1ccc(COC(=O)C2=CS[C@@H]3[C@H](Br)C(=O)N23)cc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
ELANE P08246 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL8807239 1.00 MMP1 (0.43) MMP1MMP9ELANERXFP1
SCHEMBL8807243 1.00 MMP1 (0.43) MMP1MMP9ELANERXFP1
SCHEMBL2923216 1.00 MMP1 (0.43) MMP1MMP9ELANERXFP1
SCHEMBL7172605 1.00 MMP1 (0.43) MMP1MMP9ELANERXFP1
SCHEMBL8810562 0.86 MMP1 (0.43) MMP1MMP9ELANERXFP1
SCHEMBL8810567 0.86 MMP1 (0.43) MMP1MMP9ELANERXFP1
SCHEMBL8810870 0.86 MMP1 (0.43) MMP1MMP9ELANERXFP1
SCHEMBL686701 0.84 ELANE (0.33) ELANE
SCHEMBL679070 0.82 RAB9A (0.44)
SCHEMBL4967038 0.82 RAB9A (0.44)

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
US-5602250-A ANTIBIOTICS, BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-11 US disclosed