SCHEMBL6417441

SCHEMBL6417441

C=CCn1c(=O)n(CCCCC)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.48
ALDH1A1 P00352 2/20 0.45
PGR P06401 1/20 0.44
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
RORB Q92753 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
TLR8 Q9NR97 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6454733 0.88 CNR2 (0.56) CNR2ALDH1A1PGRRORARORC
SCHEMBL6421284 0.87 CNR2 (0.57) CNR2ALDH1A1PGRRORARORC
SCHEMBL25318908 0.85 CNR2 (0.56) CNR2ALDH1A1PGRRORARORC
SCHEMBL30484776 0.85 CNR2 (0.56) CNR2ALDH1A1PGRRORARORC
SCHEMBL30484777 0.85 CNR2 (0.56) CNR2ALDH1A1PGRRORARORC
SCHEMBL25316072 0.85 CNR2 (0.56) CNR2ALDH1A1PGRRORARORC
SCHEMBL8862370 0.85 CNR2 (0.56) CNR2ALDH1A1PGRRORARORC
SCHEMBL28002722 0.85 CNR2 (0.56) CNR2ALDH1A1PGRRORARORC
SCHEMBL8133378 0.85 CYP3A4 (0.44) ALDH1A1CYP3A4KMT2AMEN1KDM4E
SCHEMBL29507760 0.83 CYP3A4 (0.62) ALDH1A1CYP3A4KMT2AKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317013-B1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
US-6942948-B2 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-13 US disclosed
US-20030165733-A1 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-04 US disclosed
EP-1317013-A1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-04 EP disclosed