SCHEMBL8725786

SCHEMBL8725786

O=C(OCCCCCCOc1ccccc1[N+](=O)[O-])OB(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PRSS1 P07477 3/20 0.44
PKM P14618 1/20 0.44
STAT1 P42224 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43

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 1.00 L3MBTL1 (0.53) L3MBTL1NPC1RAB9ARECQLALDH1A1
SCHEMBL8722487 1.00 L3MBTL1 (0.53) L3MBTL1NPC1RAB9ARECQLALDH1A1
SCHEMBL8722484 0.89 L3MBTL1 (0.54) L3MBTL1NPC1RAB9ARECQLALDH1A1
SCHEMBL8725784 0.89 L3MBTL1 (0.54) L3MBTL1NPC1RAB9ARECQLALDH1A1
SCHEMBL8721554 0.89 L3MBTL1 (0.54) L3MBTL1NPC1RAB9ARECQLALDH1A1
Hydrochloric Acid SCHEMBL8723502 0.88 L3MBTL1 (0.48) L3MBTL1NPC1RAB9ARECQLALDH1A1
SCHEMBL8724946 0.82 NPC1 (0.56) L3MBTL1NPC1RAB9ARECQLALDH1A1
SCHEMBL8727025 0.81 MAPT (0.49) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL8721566 0.81 L3MBTL1 (0.44) L3MBTL1NPC1RAB9ARECQLALDH1A1
SCHEMBL8724958 0.79 CHRNB2 (0.46) ALDH1A1KMT2AMEN1HTTLMNA

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 claimed