SCHEMBL6697882

SCHEMBL6697882

[CH2]c1ccc(SCC=C)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
TRPA1 O75762 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8755108 0.90 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL7154447 0.85 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL10528716 0.83 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL12218740 0.83 L3MBTL1 (0.37) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL10516600 0.79 NPC1 (0.41) MEN1KMT2AALDH1A1HPGDCYP3A4
SCHEMBL10651025 0.79 MAOA (0.39) L3MBTL1MEN1KMT2AALDH1A1CYP3A4
SCHEMBL5854053 0.79 HDAC3 (0.44) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL21572118 0.79 APP (0.39) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL5671204 0.79 ALDH1A1 (0.36) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL314175 0.79 NR1H2 (0.44) L3MBTL1MEN1KMT2AALDH1A1HPGD

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
JP-2004255302-A GOLD ION ADSORBENT COMPRISING CHITOSAN DERIVATIVE NOGUCHI INST 2004-09-16 JP disclosed