SCHEMBL28866366

SCHEMBL28866366

c1ccc(-c2cccc(C3(C4CCCCC4)CCCCC3)c2C2(C3CCCCC3)CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4379605 0.89 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL27641970 0.84 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2589110 0.80 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL1666028 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL9004261 0.72 HDAC4 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL28465330 0.72 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL944385 0.71 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL58980 0.71 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3
SCHEMBL28576602 0.71 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL527776 0.70 HDAC4 (0.45) SLC6A2SLC6A4SLC6A3

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-108774515-A A kind of organic light emission combined material and its organic luminescent device 长春海谱润斯科技有限公司 2018-11-09 CN disclosed