SCHEMBL7299168

SCHEMBL7299168

CC(C)(C)ONC(=O)CC1(Sc2ccc(Oc3ccccc3)cc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
RNF4 P78317 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
MMP1 P03956 2/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LTA4H P09960 5/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
PPARA Q07869 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL7309991 0.99 LMNA (0.41) LMNAALDH1A1MAPTRNF4MEN1
SCHEMBL7311858 0.90 MMP1 (0.45) LMNAALDH1A1MAPTRNF4MMP1
SCHEMBL7307984 0.87 ALDH1A1 (0.39) LMNAALDH1A1MAPTGAARAB9A
SCHEMBL7306362 0.84 MMP1 (0.49) LMNAALDH1A1MAPTRNF4MEN1
SCHEMBL7305353 0.83 MMP1 (0.48) LMNAALDH1A1MAPTRNF4MEN1
SCHEMBL7303726 0.81 ALDH1A1 (0.44) LMNAALDH1A1MAPTRNF4MEN1
SCHEMBL7300368 0.81 MMP1 (0.40) ALDH1A1MMP1MMP2MMP13HPGD
SCHEMBL7308043 0.81 MMP1 (0.46) ALDH1A1MMP1MMP2MMP13HPGD
SCHEMBL7306527 0.81 NPC1 (0.36) MMP1MMP2MMP13LTA4HRAB9A
SCHEMBL7307399 0.80 ALDH1A1 (0.43) LMNAALDH1A1MAPTRNF4MEN1

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