SCHEMBL8724946

SCHEMBL8724946

O=[N+]([O-])c1ccccc1OCCCCCCCCOOB(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PRSS1 P07477 4/20 0.47
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.46
KCNH2 Q12809 1/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPT P10636 1/20 0.45
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
STAT1 P42224 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL8721558 0.82 L3MBTL1 (0.53) NPC1RAB9ARECQLL3MBTL1KDM4E
SCHEMBL8722487 0.82 L3MBTL1 (0.53) NPC1RAB9ARECQLL3MBTL1KDM4E
SCHEMBL8725786 0.82 L3MBTL1 (0.53) NPC1RAB9ARECQLL3MBTL1KDM4E
SCHEMBL8724943 0.80 NPC1 (0.64) NPC1RAB9ARECQLL3MBTL1KDM4E
SCHEMBL8724941 0.78 NPC1 (0.64) NPC1RAB9ARECQLL3MBTL1KDM4E
SCHEMBL28009686 0.77 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1KDM4E
SCHEMBL8956094 0.77 NPC1 (0.72) NPC1RAB9ARECQLL3MBTL1KDM4E
SCHEMBL27633714 0.76 NPC1 (0.66) NPC1RAB9ARECQLL3MBTL1KDM4E
SCHEMBL9642715 0.76 NPC1 (0.89) NPC1RAB9ARECQLL3MBTL1KDM4E
SCHEMBL8721554 0.76 L3MBTL1 (0.54) NPC1RAB9ARECQLL3MBTL1KDM4E

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-5800624-A LIPOPHILIC POLYMER, HYDROPHOBIC PLASTICIZER, QUATERNARY AMMONIUM OR PHOSPHONIUM CARRIER UNIVERSITY OF NOTRE DAME (US) 1998-09-01 US disclosed