SCHEMBL13738043

SCHEMBL13738043

O=C(/C=C/c1ccco1)OCCCCO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.58
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 12/20 0.56
CTDSP1 Q9GZU7 3/20 0.56
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
POLB P06746 10/20 0.56
CACNA1B Q00975 2/20 0.56
APBA1 Q02410 2/20 0.56
RECQL P46063 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 1/20 0.56
APEX1 P27695 2/20 0.54
HCAR2 Q8TDS4 1/20 0.51
APP P05067 2/20 0.51
MEN1 O00255 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL13738045 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A
SCHEMBL7136769 0.94 L3MBTL1 (0.63) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A
SCHEMBL7136767 0.94 L3MBTL1 (0.63) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A
SCHEMBL7139015 0.93 L3MBTL1 (0.62) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A
SCHEMBL7139011 0.93 L3MBTL1 (0.62) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A
SCHEMBL7142751 0.93 L3MBTL1 (0.62) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A
SCHEMBL7142748 0.93 L3MBTL1 (0.62) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A
SCHEMBL7588166 0.91 L3MBTL1 (0.63) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A
SCHEMBL7588159 0.91 L3MBTL1 (0.63) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A
SCHEMBL7141925 0.88 L3MBTL1 (0.67) L3MBTL1ALDH1A1TDP1CTDSP1APOBEC3A

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
WO-2012152438-A1 PROCESS FOR THE PREPARATION OF NITRATE ACID ESTER OF ORGANIC COMPOUNDS NICOX S.A. (FR) 2012-11-15 WO disclosed