Benzene

Benzene

SCHEMBL28246014

CCCCCC(O)n1c2ccccc2c2ccccc21.c1ccccc1

nearest known ligand 0.44

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.44
CNR1 P21554 3/20 0.44
CSNK1E P49674 1/20 0.42
BACE1 P56817 2/20 0.41
PGR P06401 1/20 0.41
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
CDC25A P30304 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39

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 SCHEMBL28246744 0.98 CSNK1E (0.44) CNR2CNR1CSNK1ECDC25AKDM4E
Benzene SCHEMBL28246729 0.98 CSNK1E (0.44) CNR2CNR1CSNK1ECDC25AKDM4E
SCHEMBL28246015 0.98 CNR2 (0.45) CNR2CNR1CSNK1EBACE1PGR
SCHEMBL2729679 0.84 CNR2 (0.39) CNR2CNR1KDM4E
SCHEMBL11160949 0.81 CNR2 (0.57) CNR2CNR1
SCHEMBL572976 0.81 CNR2 (0.44) CNR2CNR1PGRRORARORC
SCHEMBL11162564 0.80 CNR2 (0.56) CNR2CNR1
SCHEMBL573850 0.79 CNR1 (0.43) CNR2CNR1PGRRORARORC
SCHEMBL19388341 0.79 CNR1 (0.43) CNR2CNR1PGRRORARORC
SCHEMBL13772416 0.79 CNR2 (0.55) 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