SCHEMBL17558809

SCHEMBL17558809

OB(O)c1ccccc1C[n+]1ccc(-c2cc[n+](Cc3ccccc3B(O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
LIPG Q9Y5X9 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
CHKA P35790 3/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL17558828 0.92 ALDH1A1 (0.55) BCHELIPGACHEKDM4ERAB9A
SCHEMBL19037331 0.91 RAB9A (0.40) BCHELIPGACHEKDM4ERAB9A
SCHEMBL12972595 0.87 LIPG (0.46) BCHELIPGACHEKDM4ERAB9A
SCHEMBL21274252 0.87 ESR1 (0.42) BCHELIPGACHEKDM4ERAB9A
Bromide SCHEMBL30756708 0.85 BCHE (0.42) BCHELIPGACHEKDM4ERAB9A
SCHEMBL19037337 0.83 ALDH1A1 (0.43) KDM4ERAB9AALDH1A1MEN1MAPT
SCHEMBL14002932 0.83 ALDH1A1 (0.40) BCHELIPGACHEKDM4ERAB9A
SCHEMBL19037336 0.83 ALDH1A1 (0.40) BCHELIPGACHEKDM4ERAB9A
SCHEMBL17558827 0.82 BCHE (0.38) BCHELIPGACHEKDM4ERAB9A
SCHEMBL19418875 0.80 BCHE (0.67) BCHEACHECYP2D6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170285038-A1 FLUORESCENCE ASSAY FOR INTESTINAL PERMEABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-05 US claimed
WO-2016036887-A1 FLUORESCENCE ASSAY FOR INTESTINAL PERMEABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-10 WO claimed
US-20170285038-A1 FLUORESCENCE ASSAY FOR INTESTINAL PERMEABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-05 US disclosed
WO-2016036887-A1 FLUORESCENCE ASSAY FOR INTESTINAL PERMEABILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-10 WO disclosed