SCHEMBL7961733

SCHEMBL7961733

CCOC(OCC)[C@@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.39
CACNA1C Q13936 8/20 0.39
TLR3 O15455 2/20 0.36
ATM Q13315 1/20 0.35
CACNA1F O60840 6/20 0.35
CACNA1D Q01668 6/20 0.35
CACNA1S Q13698 6/20 0.35
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL27498777 1.00 AKR1B1 (0.39) AKR1B1CACNA1CTLR3ATMCACNA1F
SCHEMBL7963402 0.87 AKR1B1 (0.38) AKR1B1CACNA1CTLR3MAPTMEN1
SCHEMBL6983916 0.87 AKR1B1 (0.38) AKR1B1CACNA1CTLR3MAPTMEN1
SCHEMBL7964272 0.87 AKR1B1 (0.38) AKR1B1CACNA1CTLR3MAPTMEN1
SCHEMBL7952174 0.87 AKR1B1 (0.38) AKR1B1CACNA1CTLR3MAPTMEN1
SCHEMBL7964237 0.87 AKR1B1 (0.38) AKR1B1CACNA1CTLR3MAPTMEN1
SCHEMBL4869775 0.81 AKR1B1 (0.37) AKR1B1CACNA1CTLR3ATMCACNA1F
SCHEMBL4871424 0.81 AKR1B1 (0.37) AKR1B1CACNA1CTLR3ATMCACNA1F
SCHEMBL4869785 0.81 AKR1B1 (0.37) AKR1B1CACNA1CTLR3ATMCACNA1F
SCHEMBL4869825 0.81 AKR1B1 (0.37) AKR1B1CACNA1CTLR3ATMCACNA1F

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-6323238-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-11-27 US disclosed