SCHEMBL29096573

SCHEMBL29096573

CCC(=Cc1cccc(OC)c1O)[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.54
ERN1 O75460 1/20 0.54
TLR1 Q15399 1/20 0.54
TLR6 Q9Y2C9 1/20 0.54
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
CA12 O43570 1/20 0.49
NPC1 O15118 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
HSP90AA1 P07900 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
GAA P10253 3/20 0.46
GFER P55789 1/20 0.46
MAPT P10636 7/20 0.45
KDM4E B2RXH2 5/20 0.45
LMNA P02545 3/20 0.45

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
SCHEMBL29096571 1.00 TLR2 (0.54) TLR2ERN1TLR1TLR6ADORA2A
SCHEMBL8140581 0.87 LMNA (0.52) NPC1MEN1KMT2APOLBMAPT
SCHEMBL8140582 0.87 LMNA (0.52) NPC1MEN1KMT2APOLBMAPT
SCHEMBL29096562 0.80 MAPT (0.42) TLR2ERN1TLR1TLR6NPC1
SCHEMBL30567940 0.80 MAPT (0.42) TLR2ERN1TLR1TLR6NPC1
SCHEMBL29096565 0.80 MAPT (0.42) TLR2ERN1TLR1TLR6NPC1
SCHEMBL29096552 0.79 ERN1 (0.37) ERN1MEN1KMT2AHSP90AA1MAPT
SCHEMBL29096553 0.79 ERN1 (0.37) ERN1MEN1KMT2AHSP90AA1MAPT
SCHEMBL16973642 0.77 ALDH1A1 (0.44) NPC1MEN1KMT2APOLBMAPT
SCHEMBL11739586 0.76 ALDH1A1 (0.46) ERN1CA12MEN1KMT2AMAPT

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
CN-116693552-A Polycyclic dihydrobenzofuran compound and preparation method thereof 浙江大学 2023-09-05 CN disclosed