SCHEMBL6464027

SCHEMBL6464027

CC(=O)N1CC(NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)C2(C1)NC(=O)NC2=O.c1cc2ccc1o2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.59
MMP13 P45452 2/20 0.59
ADAM17 P78536 8/20 0.51

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
SCHEMBL4057259 0.88 MMP12 (0.54) MMP12MMP13ADAM17
SCHEMBL4057254 0.88 MMP12 (0.54) MMP12MMP13ADAM17
SCHEMBL4053424 0.87 MMP12 (0.57) MMP12MMP13ADAM17
SCHEMBL4053430 0.87 MMP12 (0.57) MMP12MMP13ADAM17
SCHEMBL4059425 0.86 ADAM17 (0.54) MMP12MMP13ADAM17
SCHEMBL4059420 0.86 ADAM17 (0.54) MMP12MMP13ADAM17
SCHEMBL4556570 0.86 ADAM17 (0.54) MMP12MMP13ADAM17
SCHEMBL4442454 0.86 MMP12 (0.67) MMP12MMP13ADAM17
SCHEMBL4057183 0.86 MMP12 (0.52) MMP12MMP13ADAM17
SCHEMBL6527878 0.86 MMP12 (0.67) MMP12MMP13ADAM17

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-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 US claimed