SCHEMBL28055932

SCHEMBL28055932

CN(C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 4/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3507290 0.81 LMNA (0.58) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL27692422 0.79 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL5803244 0.77 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL8614663 0.76 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL28943806 0.76 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL27657055 0.76 ESR1 (0.49) KMT2AESR1ESR2ALDH1A1L3MBTL1
SCHEMBL23064984 0.75 RAB9A (0.54) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL491229 0.75 RAB9A (0.54) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL5696776 0.75 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL28752431 0.74 ESR1 (0.59) KMT2AESR1ESR2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105733306-B A kind of application of disperse dye composition 上海安诺其集团股份有限公司 2018-09-07 CN disclosed
CN-105733307-B A kind of preparation method of disperse dye composition 上海安诺其集团股份有限公司 2018-09-07 CN disclosed
CN-105733303-B A kind of disperse dye composition 上海安诺其集团股份有限公司 2018-09-07 CN disclosed
CN-105733307-A Preparation method of disperse dye composition 上海安诺其集团股份有限公司 2016-07-06 CN disclosed
CN-105733306-A Application of disperse dye composition 上海安诺其集团股份有限公司 2016-07-06 CN disclosed
CN-105733303-A A disperse dye composition 上海安诺其集团股份有限公司 2016-07-06 CN disclosed