SCHEMBL1930883

SCHEMBL1930883

OB(OB(O)c1ccccc1CBr)c1ccccc1CBr

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.36
ENPP2 Q13822 1/20 0.33
ORAI1 Q96D31 2/20 0.32
ORAI2 Q96SN7 2/20 0.32
ORAI3 Q9BRQ5 2/20 0.32
LIPE Q05469 1/20 0.32
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31

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
SCHEMBL29663650 0.80 LIPG (0.53) LIPGENPP2ORAI1ORAI2ORAI3
SCHEMBL580318 0.80 LIPG (0.53) LIPGENPP2ORAI1ORAI2ORAI3
SCHEMBL1506807 0.77 LIPG (0.33) LIPGENPP2ORAI1ORAI2ORAI3
SCHEMBL580069 0.76 LIPG (0.33) LIPGENPP2
SCHEMBL5852415 0.73 LIPG (0.31) LIPG
Bromoethanamine SCHEMBL14119092 0.72 LIPG (0.46) LIPGENPP2ORAI1ORAI2ORAI3
SCHEMBL29382225 0.68 TSHR (0.50) TRPA1ALDH1A1TSHR
SCHEMBL28289 0.68 TSHR (0.50) TRPA1ALDH1A1TSHR
SCHEMBL7930396 0.67 ENPP2 (0.41) ENPP2ORAI1ORAI2ORAI3LIPE
SCHEMBL9014978 0.67 ENPP2 (0.33) ENPP2ORAI1ORAI2ORAI3LIPE

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
US-7955483-B2 Carbon nanotube-based glucose sensor HONEYWELL INTERNATIONAL INC. (US) 2011-06-07 US disclosed