SCHEMBL28246015

SCHEMBL28246015

CCCCCC(O)n1c2ccccc2c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
CNR1 P21554 3/20 0.45
BACE1 P56817 2/20 0.42
PGR P06401 1/20 0.41
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
CSNK1E P49674 1/20 0.40
TSHR P16473 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTR7 P34969 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
DNM1 Q05193 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
Benzene SCHEMBL28246014 0.98 CNR2 (0.44) CNR2CNR1BACE1PGRRORA
Benzene SCHEMBL28246744 0.97 CSNK1E (0.44) CNR2CNR1CSNK1EKDM4EPSEN1
Benzene SCHEMBL28246729 0.97 CSNK1E (0.44) CNR2CNR1CSNK1EKDM4EPSEN1
SCHEMBL2729679 0.85 CNR2 (0.39) CNR2CNR1KDM4EHTR7PSEN1
SCHEMBL572976 0.82 CNR2 (0.44) CNR2CNR1PGRRORARORC
SCHEMBL29354573 0.81 CNR1 (0.43) CNR2CNR1PGRRORARORC
SCHEMBL13772416 0.81 CNR2 (0.55) CNR2CNR1PGRRORARORC
SCHEMBL573850 0.81 CNR1 (0.43) CNR2CNR1PGRRORARORC
SCHEMBL19388341 0.81 CNR1 (0.43) CNR2CNR1PGRRORARORC
SCHEMBL25721393 0.81 CNR1 (0.43) CNR2CNR1PGRRORARORC

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-106674514-B A kind of polyarylether, preparation method and nano-carbon modified material and composite material of the main chain containing carbazole 吉林大学 2018-10-23 CN disclosed