SCHEMBL28282933

SCHEMBL28282933

COc1cc(C=O)c(O)c(-c2cc(OC)cc(C=O)c2O)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 18/20 0.56
TRIM24 O15164 1/20 0.52
TYR P14679 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
ALDH1A1 P00352 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43

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
SCHEMBL7285302 0.90 ERN1 (0.62) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL31457075 0.86 ERN1 (0.49) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL28292328 0.84 ERN1 (0.61) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL3645435 0.84 ERN1 (0.61) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL7645339 0.84 ERN1 (0.48) ERN1TRIM24TYRTRIM33
SCHEMBL13855640 0.82 ERN1 (0.55) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL931983 0.82 ERN1 (0.60) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL118908 0.82 ERN1 (0.68) ERN1ALDH1A1
SCHEMBL4376307 0.81 ERN1 (0.58) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL3928147 0.81 ERN1 (0.58) ERN1TRIM24TYRTRIM33ALDH1A1

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
CN-109369694-A Boron nitrogen luminous organic material based on union II benzene skeleton and preparation method thereof 江汉大学 2019-02-22 CN claimed
CN-109369694-A Boron nitrogen luminous organic material based on union II benzene skeleton and preparation method thereof 江汉大学 2019-02-22 CN disclosed
CN-109369694-A Boron nitrogen luminous organic material based on union II benzene skeleton and preparation method thereof 江汉大学 2019-02-22 CN disclosed