SCHEMBL28039411

SCHEMBL28039411

[CH2]CCCC(CCC)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
EPHX1 P07099 1/20 0.33
HTR1B P28222 3/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP2A6 P11509 1/20 0.32
KIF11 P52732 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HTR1D P28221 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL28039082 0.90 ALDH1A1 (0.34) HPGDKDM4ELMNAEPHX1HTR1B
SCHEMBL28039337 0.89 HPGD (0.36) HPGDKDM4ELMNAEPHX1ALDH1A1
SCHEMBL28039356 0.88 HTR1B (0.35) HPGDKDM4ELMNAEPHX1HTR1B
SCHEMBL28039065 0.85 ALDH1A1 (0.35) HPGDKDM4ELMNAEPHX1HTR1B
SCHEMBL28039051 0.84 HPGD (0.35) HPGDKDM4ELMNAEPHX1ALDH1A1
SCHEMBL28039387 0.83 HTR1B (0.36) HPGDKDM4ELMNAEPHX1HTR1B
SCHEMBL28039376 0.81 CNR1 (0.36) HPGDKDM4ELMNAHTR1BALDH1A1
SCHEMBL28039335 0.79 ALDH1A1 (0.35) HPGDKDM4ELMNAHTR1BALDH1A1
SCHEMBL28039062 0.79 ALDH1A1 (0.35) KDM4EHTR1BALDH1A1CYP2A6KIF11
SCHEMBL17288442 0.76 KDM4E (0.36) HPGDKDM4EHTR1BALDH1A1CYP2A6

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-104955332-A Method for controlling arthropod pest SUMITOMO CHEMICAL CO 2015-09-30 CN disclosed