SCHEMBL7396293

SCHEMBL7396293

Cc1cc(CCOc2ccc(C(=O)NC(CC(=O)NO)c3ccc(N(C)C)cc3)cc2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.48
ADAMTS4 O75173 3/20 0.45
MMP3 P08254 3/20 0.45
ADAMTS1 Q9UHI8 3/20 0.45
ADAMTS5 Q9UNA0 3/20 0.45
MMP7 P09237 2/20 0.45
MMP8 P22894 2/20 0.45
MMP10 P09238 1/20 0.44
MMP14 P50281 1/20 0.44
MMP15 P51511 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 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
SCHEMBL7407612 0.93 ADAM17 (0.51) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
SCHEMBL6598698 0.92 ADAM17 (0.57) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
Trifluoroacetic Acid SCHEMBL6596919 0.88 ADAM17 (0.53) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
SCHEMBL7396299 0.84 SMN1; SMN2 (0.42) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
SCHEMBL6596246 0.84 ADAM17 (0.61) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
SCHEMBL7400388 0.84 ADAM17 (0.47) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
SCHEMBL7403614 0.84 ADAM17 (0.51) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
SCHEMBL6595798 0.81 ADAM17 (0.57) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
Trifluoroacetic Acid SCHEMBL6598554 0.80 ADAM17 (0.56) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5
SCHEMBL6597183 0.77 ADAM17 (0.57) ADAM17ADAMTS4MMP3ADAMTS1ADAMTS5

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