SCHEMBL8724958

SCHEMBL8724958

O=C(OCCCCCOc1cccc([N+](=O)[O-])c1)OB(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 3/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL8724957 0.90 CHRNB2 (0.47) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL8727025 0.88 MAPT (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3977089 0.79 CHRNB2 (0.64) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL8725786 0.79 L3MBTL1 (0.53) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL8721558 0.79 L3MBTL1 (0.53) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL8722487 0.79 L3MBTL1 (0.53) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL14028449 0.78 CHRNB2 (0.69) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL27634250 0.78 CHRNB2 (0.59) CHRNB2CHRNA4MEN1KMT2AALDH1A1
SCHEMBL8727019 0.77 MAPT (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8724953 0.76 LMNA (0.49) CHRNB2CHRNA4MEN1KMT2AALDH1A1

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