SCHEMBL5692574

SCHEMBL5692574

C[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 4/20 0.75
▸ MMP2 P08253 11/20 0.68
▸ MMP9 P14780 9/20 0.68
▸ MMP3 P08254 5/20 0.62
▸ MMP13 P45452 5/20 0.62
▸ MMP1 P03956 5/20 0.62
▸ MMP7 P09237 4/20 0.62
▸ MMP14 P50281 1/20 0.61
▸ ADAM17 P78536 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL14216845 0.87 MMP2 (0.62) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL4651862 0.86 ADAMTS4 (1.00) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL1751961 0.86 ADAMTS4 (1.00) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL32691800 0.85 MMP2 (0.80) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL1800250 0.84 MMP13 (0.76) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL1800247 0.84 MMP13 (0.76) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL31086764 0.84 MMP2 (0.71) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL405125 0.84 MMP9 (0.66) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL4915104 0.84 MMP9 (0.66) ADAMTS4MMP2MMP9MMP3MMP13
SCHEMBL7414131 0.83 MMP2 (0.68) ADAMTS4MMP2MMP9MMP3MMP13

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-1644031-A1 INHIBITORS OF THE LEUKOCYTE PROMMP-9/BETA(2) INTEGRIN COMPLEX CTT Cancer Targeting Technologies OY (FI) 2006-04-12 — — EP disclosed
WO-2004110477-A1 INHIBITORS OF THE LEUKOCYTE PROMMP-9/BETA(2) INTEGRIN COMPLEX CTT CANCER TARGETING TECHNOLOGIES OY (FI) 2004-12-23 — — WO disclosed
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