SCHEMBL7298907

SCHEMBL7298907

O=C(CC1(Sc2ccc(Cc3ccccc3)cc2)CCOCC1)NO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 5/20 0.38
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC2 Q92769 1/20 0.36
PLA2G2A P14555 1/20 0.36
MPO P05164 1/20 0.36

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
SCHEMBL7307885 0.87 PLA2G2A (0.36) ALDH1A1NPC1HTTRAB9ASMN1; SMN2
SCHEMBL7304792 0.84 MMP1 (0.60) MMP1MMP13ALDH1A1
SCHEMBL7303599 0.77 MMP1 (0.49) MMP1HDAC8HDAC1MMP13ALDH1A1
SCHEMBL7308395 0.76 MMP1 (0.48) MMP1MMP13
SCHEMBL7301981 0.76 MMP1 (0.61) MMP1MMP13
SCHEMBL7311267 0.75 MMP1 (0.73) MMP1HDAC8HDAC6MEN1KMT2A
SCHEMBL7306362 0.72 MMP1 (0.49) MMP1MEN1KMT2AMMP13ALDH1A1
SCHEMBL7305353 0.72 MMP1 (0.48) MMP1MEN1KMT2AMMP13ALDH1A1
SCHEMBL7298947 0.71 MMP1 (0.47) MMP1KMT2AMMP13ALDH1A1HTT
SCHEMBL7311858 0.71 MMP1 (0.45) MMP1MMP13ALDH1A1HTTSMN1; SMN2

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