SCHEMBL29620622

SCHEMBL29620622

CCOCC(O)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.58
LMNA P02545 2/20 0.51
CYP2D6 P10635 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL11959217 0.93 LMNA (0.58) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL28727723 0.87 KDM1A (0.56) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL1496637 0.85 LTA4H (0.58) LTA4HLMNACYP2D6ADRB2ADRB1
SCHEMBL29620619 0.83 LMNA (0.55) LTA4HLMNACYP2D6ADRB2ADRB1
SCHEMBL14904502 0.83 LMNA (0.50) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL11400908 0.82 LMNA (0.61) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL15677159 0.82 KMT2A (0.60) CYP2D6MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL14546244 0.81 TSHR (0.54) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL12787423 0.81 LMNA (0.56) LMNACYP2D6ADRB2ADRB1ADRB3
SCHEMBL11018105 0.81 KMT2A (0.49) LMNACYP2D6ADRB2ADRB1ADRB3

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-109641823-B Monomers, polymers, preparation method and use thereof 东莞东阳光医疗智能器件研发有限公司 2022-05-06 CN disclosed