SCHEMBL7401159

SCHEMBL7401159

CCC(C)(O)C(=O)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OC(C)c3cc(C)nc4ccccc34)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.65
MMP13 P45452 1/20 0.55

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
SCHEMBL7403315 0.89 ADAM17 (0.74) ADAM17MMP13
SCHEMBL7402757 0.89 ADAM17 (0.64) ADAM17MMP13
SCHEMBL7402156 0.86 ADAM17 (0.75) ADAM17MMP13
SCHEMBL7399734 0.86 ADAM17 (0.64) ADAM17MMP13
SCHEMBL7405015 0.86 ADAM17 (0.64) ADAM17MMP13
SCHEMBL7404521 0.85 ADAM17 (0.61) ADAM17MMP13
SCHEMBL7401157 0.85 ADAM17 (0.74) ADAM17MMP13
SCHEMBL7401790 0.85 ADAM17 (0.62) ADAM17MMP13
SCHEMBL7401098 0.84 ADAM17 (0.61) ADAM17MMP13
SCHEMBL7399912 0.84 ADAM17 (0.73) ADAM17MMP13

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
EP-1263756-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
WO-2001070734-A2 BETA-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-ALPHA BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed