SCHEMBL28048629

SCHEMBL28048629

O=C(ON1CCc2ccccc21)C(O)C(O)C(=O)ON1CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
TSHR P16473 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CNR2 P34972 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL21798510 0.83 NOTUM (0.50) NOTUMTSHRNPC1RAB9AL3MBTL1
SCHEMBL5069267 0.81 ALDH1A1 (0.50) NOTUMTSHRNPC1RAB9AL3MBTL1
SCHEMBL8918372 0.80 NOTUM (0.55) NOTUMTSHRNPC1RAB9AL3MBTL1
SCHEMBL11848148 0.79 NOTUM (0.46) NOTUMTSHRNPC1RAB9AL3MBTL1
SCHEMBL6269619 0.78 NOTUM (0.49) NOTUMTSHRNPC1RAB9AL3MBTL1
SCHEMBL11348836 0.77 NOTUM (0.42) NOTUMTSHRNPC1RAB9AL3MBTL1
SCHEMBL5364732 0.76 HDAC8 (0.55) NOTUMTSHRNPC1RAB9AL3MBTL1
SCHEMBL8922927 0.75 NOTUM (0.50) NOTUMTSHRNPC1RAB9AL3MBTL1
SCHEMBL9132803 0.74 ALDH1A1 (0.52) NOTUMTSHRNPC1RAB9AL3MBTL1
SCHEMBL4688756 0.73 SMN1; SMN2 (0.56) NOTUMTSHRALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105254553-B The preparation method of Silodosin intermediate 黄欢 2018-04-10 CN disclosed
CN-105254553-A Method for preparing silodosin midbody HUANG HUAN 2016-01-20 CN disclosed