SCHEMBL8536557

SCHEMBL8536557

COCC1(COC)CC(O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.49
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
AKR1B1 P15121 2/20 0.39
CACNA1C Q13936 1/20 0.38
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HSP90AA1 P07900 1/20 0.35
HIF1A Q16665 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34

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
SCHEMBL7965091 0.80 TLR3 (0.40) TLR3MAPTHTTSMN1; SMN2LMNA
SCHEMBL8536328 0.79 TRPV1 (0.48) TRPV1
SCHEMBL8537172 0.79 IDO1 (0.36) TLR3AKR1B1TRPV1
SCHEMBL9201086 0.79 TLR3 (0.47) TLR3MAPTHTTSMN1; SMN2LMNA
SCHEMBL8538245 0.76 ABCB1 (0.46) MEN1KMT2AABCC9
SCHEMBL617977 0.75 TLR3 (0.45) TLR3MAPTHTTSMN1; SMN2LMNA
SCHEMBL8310989 0.75 HTT (0.40) TLR3MAPTHTTSMN1; SMN2LMNA
SCHEMBL4873739 0.75 HTT (0.39) TLR3MAPTHTTSMN1; SMN2LMNA
SCHEMBL4873736 0.75 HTT (0.39) TLR3MAPTHTTSMN1; SMN2LMNA
SCHEMBL6987633 0.75 HTT (0.39) TLR3MAPTHTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed