SCHEMBL7300405

SCHEMBL7300405

O=C(CC(Cc1ccccc1)Sc1ccccc1)NO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.50
LTA4H P09960 1/20 0.48
ANPEP P15144 1/20 0.48
ECE1 P42892 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MMP1 P03956 1/20 0.46
FCER2 P06734 1/20 0.46

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
SCHEMBL7301205 0.94 MME (0.46) MMELTA4HANPEPECE1MEN1
SCHEMBL7301831 0.91 MMP9 (0.47) MMELTA4HANPEPECE1MMP1
SCHEMBL7299278 0.88 PPARG (0.47) MMELTA4HANPEPECE1MMP1
SCHEMBL6823210 0.87 MMP1 (0.59) HDAC8MMP1
SCHEMBL7298887 0.86 ANPEP (0.52) MMELTA4HANPEPECE1FCER2
SCHEMBL7312804 0.84 MMP1 (0.50) HDAC6MMP1
SCHEMBL7308314 0.83 CPA1 (0.58) MMELTA4H
SCHEMBL27479584 0.83 PPARG (0.49) MMELTA4HANPEPECE1HDAC6
SCHEMBL7302523 0.82 MMP1 (0.54) MEN1KMT2AMMP1
SCHEMBL6822907 0.81 HDAC1 (0.52) HDAC8HDAC6MMP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed