SCHEMBL7310778

SCHEMBL7310778

O=C(CC1CCC(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1)NO

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 12/20 0.53
MMP1 P03956 11/20 0.53
MMP2 P08253 8/20 0.53
MMP14 P50281 5/20 0.53
ADAMTS4 O75173 2/20 0.53
ADAMTS5 Q9UNA0 2/20 0.53
MEP1B Q16820 1/20 0.53
MMP8 P22894 6/20 0.49
MMP9 P14780 5/20 0.49
MMP16 P51512 2/20 0.49
MMP3 P08254 4/20 0.47
MMP12 P39900 2/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7308712 0.78 MMP13 (0.55) MMP13MMP1MMP2MMP14MEP1B
SCHEMBL8428266 0.73 HTR2A (0.53) MMP13MMP1MMP2MMP14MMP8
SCHEMBL5919644 0.72 MMP1 (0.74) MMP13MMP1MMP2MMP14ADAMTS4
SCHEMBL12020262 0.70 MMP2 (0.69) MMP13MMP1MMP2MMP14MMP8
SCHEMBL8596522 0.69 MMP1 (0.47) MMP13MMP1MMP2MMP14ADAMTS4
SCHEMBL7299271 0.69 MMP1 (0.66) MMP13MMP1MMP2MMP14ADAMTS4
SCHEMBL13873512 0.68 HRH3 (0.63) ALDH1A1
SCHEMBL7208001 0.67 MMP13 (0.82) MMP13MMP1MMP2MMP14ADAMTS4
SCHEMBL7307897 0.67 MMP1 (1.00) MMP13MMP1MMP2MMP14ADAMTS4
SCHEMBL4654488 0.67 MMP1 (0.47) MMP13MMP1MMP2MMP14ADAMTS4

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-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed