SCHEMBL8536503

SCHEMBL8536503

COCC1(COC)Oc2ccc([N+](=O)[O-])cc2[C@@H]2O[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TLR3 O15455 2/20 0.36
AKR1B1 P15121 2/20 0.34
CACNA1C Q13936 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TTR P02766 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 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
SCHEMBL8536317 1.00 MAPT (0.39) MAPTHTTLMNASMN1; SMN2TLR3
SCHEMBL4846177 0.88 HTT (0.39) MAPTHTTLMNASMN1; SMN2TLR3
SCHEMBL4873736 0.88 HTT (0.39) MAPTHTTLMNASMN1; SMN2TLR3
SCHEMBL6987633 0.88 HTT (0.39) MAPTHTTLMNASMN1; SMN2TLR3
SCHEMBL4873739 0.88 HTT (0.39) MAPTHTTLMNASMN1; SMN2TLR3
SCHEMBL9766984 0.86 LMNA (0.37) MAPTHTTLMNASMN1; SMN2TLR3
SCHEMBL8130434 0.84 LMNA (0.35) MAPTHTTLMNASMN1; SMN2TLR3
SCHEMBL9767647 0.82 ESPL1 (0.43) MAPTHTTLMNASMN1; SMN2TLR3
SCHEMBL2471965 0.81 AKR1B1 (0.37) MAPTHTTLMNASMN1; SMN2TLR3
SCHEMBL6985601 0.81 AKR1B1 (0.37) MAPTHTTLMNASMN1; SMN2TLR3

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