SCHEMBL8843503

SCHEMBL8843503

COc1ccc(S(=O)(=O)[C@@](N)(C(=O)NOCc2ccccc2)C(O)(Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.52
MMP13 P45452 10/20 0.52
MMP9 P14780 9/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MMP3 P08254 5/20 0.41
MMP2 P08253 4/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ACHE P22303 1/20 0.40
PDE4A P27815 4/20 0.40
PDE4B Q07343 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7212002 0.73 NPC1 (0.51) MMP1MMP13MMP9NPC1RAB9A
SCHEMBL6962642 0.73 NPC1 (0.55) MMP1MMP13MMP9NPC1RAB9A
SCHEMBL8559637 0.72 MMP13 (0.72) MMP1MMP13MMP9MMP3MMP2
SCHEMBL8713231 0.70 MMP1 (0.73) MMP1MMP13MMP9MMP3MMP2
SCHEMBL8843348 0.70 MMP1 (0.51) MMP1MMP13MMP9NPC1RAB9A
SCHEMBL6929880 0.69 MMP1 (0.76) MMP1MMP13MMP9MMP3MMP2
SCHEMBL6617622 0.69 MMP1 (0.50) MMP1MMP13MMP9NPC1RAB9A
SCHEMBL6381667 0.69 NPC1 (0.56) MMP1MMP13MMP9NPC1RAB9A
SCHEMBL7383552 0.69 ADAMTS4 (0.61) MMP1MMP13MMP9NPC1RAB9A
SCHEMBL7383553 0.69 ADAMTS4 (0.61) MMP1MMP13MMP9NPC1RAB9A

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-5672615-A MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS NOVARTIS CORPORATION (US) 1997-09-30 US disclosed