SCHEMBL7923015

SCHEMBL7923015

O=C(NO)[C@H]1CCCCCN1S(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.75
MMP3 P08254 11/20 0.75
MMP7 P09237 10/20 0.75
MMP13 P45452 8/20 0.75
MMP9 P14780 8/20 0.59
MMP2 P08253 4/20 0.59
MMP8 P22894 2/20 0.56
HCRTR1 O43613 1/20 0.55
HCRTR2 O43614 1/20 0.55
ADAM17 P78536 1/20 0.55
GHSR Q92847 1/20 0.54

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
SCHEMBL7923021 1.00 MMP1 (0.75) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7532601 0.99 MMP1 (0.73) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7532596 0.99 MMP1 (0.73) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7568599 0.91 MMP1 (0.75) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7568594 0.91 MMP1 (0.75) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7923056 0.90 MMP1 (0.77) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7923052 0.90 MMP1 (0.77) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7923785 0.90 MMP1 (0.93) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7927015 0.90 MMP1 (0.73) MMP1MMP3MMP7MMP13MMP9
SCHEMBL7923788 0.90 MMP1 (0.93) MMP1MMP3MMP7MMP13MMP9

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-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US claimed
US-H1992-H1 INHIBITION OF METALLOPROTEINASES AND TUMOR NECROSIS FACTOR CONVERTASE WHICH DEGRADE PROTEIN COMPONENTS OF EXTRACELLULAR MATRIX AGOURON PHARMACEUTICALS, INC. 2001-09-04 US disclosed