SCHEMBL8713616

SCHEMBL8713616

CCCCCCCCn1c(C)c(C2OC(=O)c3cccc(-c4c(C)n(CCCC)c5ccccc45)c32)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.44
CNR1 P21554 9/20 0.44
SLC6A3 Q01959 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
PGR P06401 1/20 0.41
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL29429253 0.84 CNR2 (0.45) CNR2CNR1SLC6A3KDM4EMAPT
SCHEMBL5188766 0.84 CNR2 (0.45) CNR2CNR1SLC6A3KDM4EMAPT
SCHEMBL7989453 0.84 CNR2 (0.45) CNR2CNR1SLC6A3KDM4EMAPT
SCHEMBL22588941 0.83 CNR2 (0.45) CNR2CNR1SLC6A3PGRRORA
SCHEMBL30450064 0.82 PGR (0.47) CNR2CNR1SLC6A3KDM4EPGR
SCHEMBL1302079 0.82 PGR (0.47) CNR2CNR1SLC6A3KDM4EPGR
SCHEMBL11102163 0.80 CNR2 (0.47) CNR2CNR1SLC6A3KDM4EMAPT
SCHEMBL28458245 0.80 MEN1 (0.42) CNR2CNR1SLC6A3KDM4EMAPT
SCHEMBL11103828 0.78 PGR (0.47) CNR2CNR1SLC6A3KDM4EPGR
SCHEMBL29673705 0.78 CNR2 (0.53) CNR2CNR1SLC6A3

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
US-5741630-A ACID-CATALYZED THERMAL DECOMPOSITION OF SECONDARY ACID GENERATOR AND FORMATION OF SECOND ACID; COPPER COMPOUND AND REACTIVE MATERIAL USED TO DECOMPOSE SUPERACID PRECURSOR POLAROID CORPORATION (US) 1998-04-21 US disclosed