SCHEMBL4746647

SCHEMBL4746647

COCCCOc1cc(CO)ccc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.49
KDM4E B2RXH2 3/20 0.43
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2408296 0.92 SLC6A4 (0.57) SLC6A4L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL30808273 0.92 SLC6A4 (0.57) SLC6A4L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL20745053 0.88 SLC6A4 (0.53) SLC6A4KDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL2499099 0.85 SLC6A4 (0.45) SLC6A4KDM4EALDH1A1KMT2AMEN1
SCHEMBL3081718 0.85 SLC6A4 (0.50) SLC6A4KDM4EUSP2L3MBTL1ALDH1A1
SCHEMBL23673569 0.83 SLC6A4 (0.42) SLC6A4KDM4EALDH1A1MAPTNPC1
SCHEMBL29887121 0.83 SLC6A4 (0.42) SLC6A4KDM4EALDH1A1MAPTNPC1
SCHEMBL8773585 0.83 SLC6A4 (0.46) SLC6A4KDM4EUSP2L3MBTL1ALDH1A1
SCHEMBL2810242 0.82 REN (0.48) KDM4EL3MBTL1MAPTHPGDNPC1
SCHEMBL7952850 0.82 CYP3A4 (0.44) ALDH1A1TDP1LMNAMAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010024772-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2010-03-04 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed