SCHEMBL8724943

SCHEMBL8724943

O=[N+]([O-])c1ccccc1OCCCCCCCCOB(OCCCCCCCCOc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
RECQL P46063 2/20 0.64
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 3/20 0.47
HPGD P15428 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL8722484 0.83 L3MBTL1 (0.54) NPC1RAB9ARECQLKMT2ASMN1; SMN2
SCHEMBL8725784 0.83 L3MBTL1 (0.54) NPC1RAB9ARECQLKMT2ASMN1; SMN2
SCHEMBL8721554 0.83 L3MBTL1 (0.54) NPC1RAB9ARECQLKMT2ASMN1; SMN2
SCHEMBL9642715 0.81 NPC1 (0.89) NPC1RAB9ARECQLKMT2ASMN1; SMN2
SCHEMBL8724946 0.80 NPC1 (0.56) NPC1RAB9ARECQLKMT2ASMN1; SMN2
SCHEMBL9187561 0.79 NPC1 (1.00) NPC1RAB9ARECQLKMT2ASMN1; SMN2
SCHEMBL2304857 0.79 NPC1 (0.72) NPC1RAB9ARECQLKMT2ASMN1; SMN2
SCHEMBL16065406 0.79 NPC1 (0.72) NPC1RAB9ARECQLKMT2ASMN1; SMN2
SCHEMBL8581954 0.79 NPC1 (0.72) NPC1RAB9ARECQLKMT2ASMN1; SMN2
SCHEMBL7972481 0.79 NPC1 (0.72) NPC1RAB9ARECQLKMT2ASMN1; SMN2

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