SCHEMBL8727019

SCHEMBL8727019

O=C(OCCCCCCOc1ccc([N+](=O)[O-])cc1)OB(OC(=O)OCCCCCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 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
SCHEMBL8727025 0.89 MAPT (0.49) MAPTDRD2DRD4DRD3L3MBTL1
SCHEMBL8724957 0.87 CHRNB2 (0.47) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL8722484 0.81 L3MBTL1 (0.54) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL8721554 0.81 L3MBTL1 (0.54) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL8725784 0.81 L3MBTL1 (0.54) MAPTL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL28181096 0.79 DRD2 (0.74) MAPTDRD2DRD4DRD3L3MBTL1
SCHEMBL28180196 0.79 DRD2 (0.74) MAPTDRD2DRD4DRD3L3MBTL1
SCHEMBL28180993 0.79 DRD2 (0.74) MAPTDRD2DRD4DRD3L3MBTL1
SCHEMBL8724958 0.77 CHRNB2 (0.46) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL28180985 0.77 DRD2 (0.77) MAPTDRD2DRD4DRD3CRHBP

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