Daphnetin

Daphnetin

SCHEMBL28664699

O=c1ccc2ccc(O)c(O)c2o1.OCc1ccco1

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
ALOX15 P16050 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
PRKD3 O94806 1/20 0.64
EGFR P00533 1/20 0.64
LMNA P02545 1/20 0.64
PRKCG P05129 1/20 0.64
CYP1A2 P05177 1/20 0.64
PRKCB P05771 1/20 0.64
POLB P06746 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
THRB P10828 1/20 0.64
PRKCA P17252 1/20 0.64

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
Daphnetin SCHEMBL29612544 0.80 MCL1 (1.00) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL128212 0.80 MCL1 (1.00) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL27885599 0.78 MCL1 (0.96) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL29041019 0.78 MCL1 (0.96) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL27909704 0.77 MCL1 (0.85) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL27450181 0.77 MCL1 (0.92) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL28751158 0.77 MCL1 (0.92) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL28897878 0.77 MCL1 (0.92) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL27588162 0.74 MCL1 (0.85) MCL1KDM4EALDH1A1MAPTHPGD
Daphnetin SCHEMBL27606014 0.73 MCL1 (0.77) MCL1KDM4EALDH1A1MAPTHPGD

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-113652866-A Cashmere blend fiber containing copper ammonia fiber and preparation method thereof 江南织造府(宁波)线业有限公司 2021-11-16 CN disclosed