SCHEMBL28049991

SCHEMBL28049991

CCOCC(OCC)c1ccco1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.36
HPGD P15428 2/20 0.35
GLA P06280 1/20 0.35
RECQL P46063 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
PKM P14618 2/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN7 P35236 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL5133904 0.80 L3MBTL1 (0.40) L3MBTL1HPGDGLARECQLSLC6A2
SCHEMBL11006872 0.77 MAPT (0.38) L3MBTL1HPGDGLARECQLSLC6A2
SCHEMBL11007558 0.76 L3MBTL1 (0.38) L3MBTL1HPGDGLARECQLSLC6A2
SCHEMBL574423 0.75 L3MBTL1 (0.39) L3MBTL1HPGDGLARECQLSLC6A2
SCHEMBL13177108 0.72 KMT2A (0.42) L3MBTL1HPGDGLARECQLALDH1A1
SCHEMBL29023776 0.72 L3MBTL1 (0.38) L3MBTL1HPGDGLARECQLALDH1A1
SCHEMBL5443534 0.72 OPRM1 (0.40) L3MBTL1SLC6A2SLC6A4ALDH1A1HTT
SCHEMBL1152090 0.71 SLC6A2 (0.38) L3MBTL1HPGDGLARECQLSLC6A2
SCHEMBL10090164 0.69 KMT2A (0.38) L3MBTL1HPGDGLARECQLSLC6A2
SCHEMBL11254939 0.68 SLC6A2 (0.35) L3MBTL1SLC6A2SLC6A4ALDH1A1MAPT

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
CN-105203379-A Blue Dream white liquor aroma component concentrating method SHANGHAI INST TECHNOLOGY 2015-12-30 CN disclosed