SCHEMBL29587770

SCHEMBL29587770

O=C1CCC(Nc2cccc3cc4cc5cc6cc7ccccc7cc6cc5cc4cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ROCK2 O75116 5/20 0.40
ROCK1 Q13464 5/20 0.40
BRD4 O60885 3/20 0.38
ATAD2 Q6PL18 3/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PIM1 P11309 1/20 0.36
LMNA P02545 1/20 0.36
IDO1 P14902 1/20 0.34
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL21047850 1.00 KDM4E (0.41) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL29586663 1.00 KDM4E (0.41) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL21047714 1.00 KDM4E (0.41) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL29587050 1.00 KDM4E (0.41) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL21047608 1.00 KDM4E (0.41) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL28283946 0.98 KDM4E (0.42) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL29586436 0.84 KDM4E (0.47) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL21047775 0.84 KDM4E (0.47) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL21047656 0.78 KDM4E (0.38) KDM4EGAAMAPTSMN1; SMN2ALDH1A1
SCHEMBL1716884 0.74 ROCK2 (0.72) ROCK2ROCK1

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-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed