SCHEMBL7306362

SCHEMBL7306362

O=C(CC1(Sc2ccc(Oc3ccccc3)cc2)CCCC1)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.49
MMP2 P08253 5/20 0.43
MMP13 P45452 5/20 0.43
MMP14 P50281 3/20 0.43
ADAMTS4 O75173 2/20 0.43
ADAMTS5 Q9UNA0 2/20 0.43
MEP1B Q16820 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
RNF4 P78317 1/20 0.42
MMP9 P14780 3/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
MMP8 P22894 3/20 0.40
MMP12 P39900 1/20 0.40
MMP16 P51512 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 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
SCHEMBL7305353 0.99 MMP1 (0.48) MMP1MMP2MMP13MMP14ADAMTS4
SCHEMBL7304792 0.89 MMP1 (0.60) MMP1MMP2MMP13MMP14ADAMTS4
SCHEMBL7303726 0.87 ALDH1A1 (0.44) MMP1ALDH1A1MAPTRNF4MEN1
SCHEMBL7307399 0.85 ALDH1A1 (0.43) ALDH1A1MAPTRNF4MEN1GLA
SCHEMBL7299168 0.84 LMNA (0.39) MMP1MMP2MMP13ALDH1A1MAPT
SCHEMBL7305235 0.84 MMP1 (0.47) MMP1MMP2MMP14MMP9MMP12
SCHEMBL7309991 0.83 LMNA (0.41) MMP1MMP2MMP13ALDH1A1MAPT
SCHEMBL7303599 0.79 MMP1 (0.49) MMP1MMP2MMP13MMP14ALDH1A1
SCHEMBL7301981 0.78 MMP1 (0.61) MMP1MMP2MMP13MMP14MMP9
SCHEMBL7305971 0.78 MMP1 (0.40) MMP1MMP2MMP13MMP14MMP9

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