SCHEMBL30828480

SCHEMBL30828480

COc1ccc(C2CC=Cc3c2ccc2ccccc32)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MYB P10242 1/20 0.44
PKM P14618 1/20 0.44
NR3C1 P04150 1/20 0.42
MAPT P10636 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
PTAFR P25105 1/20 0.40
NQO2 P16083 1/20 0.38

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
SCHEMBL28310747 0.84 MYB (0.41) MYBMAPTABCB1ABCC1ABCG2
SCHEMBL29913613 0.79 LMNA (0.46) MAPT
SCHEMBL6825245 0.73 NR3C1 (0.47) NR3C1PTAFR
SCHEMBL30828478 0.71 PKM (0.47) MYBPKMNR3C1MAPTABCB1
SCHEMBL29200225 0.71 PKM (0.47) MYBPKMNR3C1MAPTABCB1
SCHEMBL10783887 0.70 KDM4E (0.38) PKMMAPT
SCHEMBL9302630 0.67 ALDH1A1 (0.37) MAPT
SCHEMBL21283608 0.67 KDM1A (0.43)
SCHEMBL29560738 0.67 ALDH1A1 (0.37) MAPT
SCHEMBL28246731 0.67 ALDH1A1 (0.37)

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-117717917-A Dopamine/methoxy covalent organic framework membrane for organic dye separation and preparation method and application thereof 齐齐哈尔大学 2024-03-19 CN disclosed