SCHEMBL18171925

SCHEMBL18171925

OB(O)c1cccc(OCCCCOc2cccc(B(O)O)c2B(O)O)c1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.44
ENPP2 Q13822 2/20 0.44
ORAI1 Q96D31 1/20 0.42
ORAI2 Q96SN7 1/20 0.42
ORAI3 Q9BRQ5 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
PTK2B Q14289 1/20 0.37
LMNA P02545 2/20 0.37
HTR1B P28222 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNA3 P22001 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL18171928 0.96 LIPE (0.44) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL15430194 0.83 MEN1 (0.49) LMNAMEN1NR1I2CHRM2CYP3A4
SCHEMBL18171926 0.82 LIPE (0.63) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL15430193 0.81 LMNA (0.51) LMNAALDH1A1MEN1NR1I2CHRM2
SCHEMBL3789201 0.81 CYP1A2 (0.52) LMNAHTR1BMEN1NR1I2CHRM2
SCHEMBL3785252 0.78 MCHR1 (0.44) LIPENPC1POLBLMNAHTR1B
SCHEMBL18171929 0.78 LIPE (0.63) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL15430195 0.77 KDR (0.40) LIPEENPP2ORAI1ORAI2ORAI3
SCHEMBL29953651 0.76 LIPE (0.56) LIPEENPP2L3MBTL1LMNAALDH1A1
SCHEMBL7632353 0.74 LIPG (0.56) LIPEENPP2L3MBTL1LMNAALDH1A1

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
EP-3285923-A1 BRIDGED BI-AROMATIC LIGANDS AND OLEFIN POLYMERIZATION CATALYSTS PREPARED THEREFROM Univation Technologies, LLC (US) 2018-02-28 EP disclosed
WO-2016172097-A1 BRIDGED BI-AROMATIC LIGANDS AND OLEFIN POLYMERIZATION CATALYSTS PREPARED THEREFROM UNIVATION TECHNOLOGIES, LLC (US) 2016-10-27 WO disclosed