SCHEMBL28039344

SCHEMBL28039344

[CH2]C(CCCCC)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 4/20 0.38
HTT P42858 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTR1B P28222 2/20 0.38
GLA P06280 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RCE1 Q9Y256 1/20 0.38
CNR1 P21554 6/20 0.37
CNR2 P34972 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL28039055 0.98 KDM4E (0.39) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL28039400 0.95 HTR1B (0.39) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL2127595 0.84 KDM4E (0.39) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL6684254 0.83 KDM4E (0.38) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL10580580 0.83 CNR2 (0.40) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL27615740 0.83 CNR2 (0.40) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL28039376 0.82 CNR1 (0.36) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL23090498 0.81 KDM4E (0.37) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL6681394 0.81 KDM4E (0.39) KDM4ENPC1ALDH1A1GAAHTT
SCHEMBL6681462 0.81 KDM4E (0.37) KDM4ENPC1ALDH1A1GAAHTT

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