SCHEMBL6609685

SCHEMBL6609685

O=C(CCCCl)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.63
GSK3B P49841 2/20 0.52
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
PDE4B Q07343 1/20 0.45
HPGD P15428 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL6610011 0.95 MMP1 (0.61) MMP1GSK3BNPC1L3MBTL1MEN1
SCHEMBL11149859 0.90 MMP1 (0.67) MMP1GSK3BNPC1L3MBTL1MEN1
SCHEMBL2235019 0.89 GSK3B (0.63) MMP1GSK3BNPC1L3MBTL1MEN1
SCHEMBL5661734 0.87 MMP1 (0.60) MMP1NPC1L3MBTL1MEN1KMT2A
SCHEMBL28750318 0.85 MMP1 (0.61) MMP1NPC1L3MBTL1MEN1KMT2A
SCHEMBL27570052 0.84 GSK3B (0.57) GSK3BNPC1L3MBTL1MEN1KMT2A
SCHEMBL5660844 0.84 GSK3B (0.61) MMP1GSK3BNPC1L3MBTL1MEN1
SCHEMBL28750319 0.84 MMP1 (0.60) MMP1NPC1L3MBTL1MEN1KMT2A
SCHEMBL5660040 0.82 GSK3B (0.59) GSK3BNPC1L3MBTL1MEN1KMT2A
SCHEMBL5662338 0.82 GSK3B (0.59) GSK3BNPC1L3MBTL1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed