SCHEMBL28039337

SCHEMBL28039337

[CH2]CCCC(CC)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP2A6 P11509 1/20 0.33
KIF11 P52732 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACP3 P15309 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL28039051 0.95 HPGD (0.35) HPGDKDM4ELMNAALDH1A1CYP2A6
SCHEMBL28039335 0.90 ALDH1A1 (0.35) HPGDKDM4ELMNAALDH1A1CYP2A6
SCHEMBL28039411 0.89 HPGD (0.35) HPGDKDM4ELMNAALDH1A1CYP2A6
SCHEMBL28369183 0.83 ALDH1A1 (0.38) HPGDKDM4ELMNAALDH1A1CYP2A6
SCHEMBL28039356 0.83 HTR1B (0.35) HPGDKDM4ELMNAKMT2AEPHX1
SCHEMBL28039387 0.81 HTR1B (0.36) HPGDKDM4ELMNAALDH1A1CYP2A6
SCHEMBL28039062 0.80 ALDH1A1 (0.35) KDM4EALDH1A1CYP2A6KIF11CYP1A2
SCHEMBL28039376 0.79 CNR1 (0.36) HPGDKDM4ELMNAALDH1A1CYP1A2
SCHEMBL28039082 0.79 ALDH1A1 (0.34) HPGDKDM4ELMNAALDH1A1CYP2A6
SCHEMBL8804043 0.77 KIF11 (0.38) HPGDALDH1A1CYP2A6KIF11CYP1A2

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