SCHEMBL7306941

SCHEMBL7306941

O=C(O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Br)cc3)cc2)CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.64
MMP13 P45452 12/20 0.64
MMP2 P08253 9/20 0.64
MMP3 P08254 7/20 0.64
MMP9 P14780 7/20 0.64
MMP8 P22894 6/20 0.64
MMP14 P50281 6/20 0.64
MMP7 P09237 2/20 0.64
ABCB11 O95342 1/20 0.64
MMP10 P09238 1/20 0.64
ADAM17 P78536 1/20 0.64
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
AOC2 O75106 1/20 0.43
MMP12 P39900 1/20 0.42

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
SCHEMBL7310714 0.90 MMP1 (0.63) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7308448 0.88 MMP1 (0.81) MMP1MMP13MMP2MMP3MMP9
SCHEMBL9938067 0.88 MMP1 (0.77) MMP1MMP13MMP2MMP3MMP9
Hydroxyamine SCHEMBL5914637 0.86 MMP1 (0.74) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7302175 0.81 MMP1 (0.53) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7306093 0.81 MMP1 (0.81) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7306367 0.80 MMP1 (0.53) MMP1MMP13MMP2MMP3MMP9
SCHEMBL7301710 0.78 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
SCHEMBL3984079 0.78 MMP1 (0.80) MMP1MMP13MMP2MMP3MMP9
Cts-1027 SCHEMBL2381112 0.78 MMP1 (1.00) MMP1MMP13MMP2MMP3MMP9

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