SCHEMBL6806013

SCHEMBL6806013

Cc1cc(COc2ccc3c(C[C]=O)cccc3c2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.53
ADAM17 P78536 11/20 0.50
MMP13 P45452 2/20 0.50
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP12 P39900 1/20 0.44

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
SCHEMBL3970842 0.85 MMP2 (0.53) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL3970211 0.82 ADAM17 (0.57) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL3964650 0.81 MMP2 (0.53) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL3964657 0.81 MMP2 (0.53) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL3970844 0.81 MMP2 (0.53) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL3969746 0.78 ADAM17 (0.61) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL6632245 0.76 ADAM17 (0.63) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL8353322 0.75 ADAM17 (0.62) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL5887602 0.74 ADAM17 (0.61) MMP2ADAM17MMP13MMP3MMP7
SCHEMBL5887895 0.74 ADAM17 (0.61) MMP2ADAM17MMP13MMP3MMP7

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-6770647-B2 Bicyclic hydroxamates as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-03 US disclosed
WO-2003016248-A2 BICYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-$G(A) CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY PATENT DEPARTMENT (US) 2003-02-27 WO disclosed