SCHEMBL30282145

SCHEMBL30282145

COc1ccc(C(=O)/C=C/c2ccc(O)cc2O)c(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.72
TUBB1 Q9H4B7 3/20 0.65
TYR P14679 1/20 0.63
NR1H4 Q96RI1 1/20 0.62
MCL1 Q07820 2/20 0.60
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
KMT2A Q03164 2/20 0.58
ABCG2 Q9UNQ0 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CAPN1 P07384 1/20 0.57
CTSL P07711 1/20 0.57

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
SCHEMBL29225565 0.91 MAPT (0.69) CHRNA7TUBB1MCL1MEN1MAPT
SCHEMBL30912311 0.91 MAPT (0.69) CHRNA7TUBB1MCL1MEN1MAPT
SCHEMBL29225566 0.91 MAPT (0.69) CHRNA7TUBB1MCL1MEN1MAPT
SCHEMBL12541444 0.90 CHRNA7 (0.65) CHRNA7TUBB1TYRNR1H4MEN1
SCHEMBL12541449 0.90 CHRNA7 (0.65) CHRNA7TUBB1TYRNR1H4MEN1
SCHEMBL7196488 0.84 TUBB1 (0.64) CHRNA7TUBB1NR1H4MCL1MAPT
SCHEMBL7196491 0.84 TUBB1 (0.64) CHRNA7TUBB1NR1H4MCL1MAPT
SCHEMBL31338657 0.84 TUBB1 (0.64) CHRNA7TUBB1NR1H4MCL1MAPT
SCHEMBL31230210 0.84 TUBB1 (0.64) CHRNA7TUBB1MCL1MAPTABCG2
SCHEMBL12542565 0.82 CHRNA7 (0.69) CHRNA7TYRNR1H4MEN1MAPT

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-115770270-A Daoluotong and its use method 朱亚琼 2023-03-10 CN disclosed