SCHEMBL8636080

SCHEMBL8636080

CCCCCCCCCC(C)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR2 P34972 5/20 0.42
SLC6A4 P31645 1/20 0.42
CNR1 P21554 3/20 0.41
CASR P41180 1/20 0.40
EPHX2 P34913 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
SCHEMBL10578925 1.00 KDM4E (0.48) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL30954275 1.00 KDM4E (0.48) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL2127030 1.00 KDM4E (0.48) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL10582498 1.00 KDM4E (0.48) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL6066139 1.00 KDM4E (0.48) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL10580736 1.00 KDM4E (0.48) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL10578961 1.00 KDM4E (0.48) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL30954274 1.00 KDM4E (0.48) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL30319491 0.98 KDM4E (0.46) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2
SCHEMBL2125164 0.98 KDM4E (0.46) KDM4EKMT2AL3MBTL1ALDH1A1CYP1A2

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
JP-10088172-A None JP disclosed
JP-10053786-A None JP disclosed
JP-H1088172-A SYNTHETIC LUBRICANT OIL COMPOSITION NKK CORP 1998-04-07 JP disclosed
JP-H1053786-A SYNTHETIC LUBRICATING OIL COMPOSITION NKK CORP 1998-02-24 JP disclosed