SCHEMBL7113263

SCHEMBL7113263

CC(C)C1CCC(C)(c2cccc3ccccc23)CC1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 6/20 0.41
HSD11B1 P28845 1/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SLC18A2 Q05940 1/20 0.32
KIF11 P52732 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21724095 1.00 SLC6A3 (0.41) SLC6A3SLC6A4SLC6A2HSD11B1MAPT
SCHEMBL3206648 0.84 ALDH1A1 (0.33) MAPTKDM4EALDH1A1
SCHEMBL8501660 0.77 SLC18A3 (0.42) MAPTKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL7540731 0.73 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2MAPTKMT2A
SCHEMBL27973713 0.72 KMT2A (0.39) HSD11B1KMT2AKDM4EALDH1A1
SCHEMBL2911019 0.71 ESR2 (0.36)
SCHEMBL29760431 0.70 TRPA1 (0.36) SLC6A2HSD11B1
SCHEMBL29266620 0.70 TRPA1 (0.31)
SCHEMBL11468516 0.68 MAPT (0.40) SLC6A3SLC6A4SLC6A2MAPTKMT2A
SCHEMBL5240613 0.67 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112771002-A Method and apparatus for synthesizing multi-walled carbon nanotubes from high molecular polymer waste 义安理工学院 2021-05-07 CN disclosed
EP-1348696-A1 Optically active clausenamides, process of the preparation thereof, pharmaceutical composition containing the same and their medical use INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2003-10-01 EP disclosed