SCHEMBL8313587

SCHEMBL8313587

CN(C)C(=O)C1=CC2(CCOCC2)Oc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
OPRD1 P41143 2/20 0.39
TLR3 O15455 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
AKR1B1 P15121 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
HKDC1 Q2TB90 1/20 0.34
ALDH1A1 P00352 3/20 0.33
AKR1C3 P42330 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8317389 0.88 TLR3 (0.38) L3MBTL1OPRD1TLR3TLR9TLR8
SCHEMBL8312851 0.87 TLR3 (0.38) L3MBTL1OPRD1TLR3TLR9TLR8
SCHEMBL8313582 0.82 TLR3 (0.38) L3MBTL1OPRD1TLR3TLR9TLR8
SCHEMBL8314196 0.80 TLR3 (0.34) L3MBTL1OPRD1TLR3TLR9TLR8
SCHEMBL8316094 0.77 TLR3 (0.35) L3MBTL1TLR3TLR9TLR8AKR1B1
SCHEMBL8316461 0.76 L3MBTL1 (0.41) L3MBTL1AKR1B1SMN1; SMN2HTTKMT2A
SCHEMBL8315774 0.75 AKR1B1 (0.35) OPRD1AKR1B1CYP2D6SMN1; SMN2HTT
SCHEMBL8317269 0.74 AKR1B1 (0.38) AKR1B1SMN1; SMN2KMT2AMALT1ALDH1A1
SCHEMBL8794145 0.72 TP53 (0.38) L3MBTL1TLR3AKR1B1HTTKMT2A
SCHEMBL8796257 0.72 ALDH1A1 (0.36) L3MBTL1AKR1B1SMN1; SMN2KMT2AMALT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed