SCHEMBL6459463

SCHEMBL6459463

CCCCCCCC1CCC2CC(c3ccc(-c4ccc(OC)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.39
KDM1A O60341 3/20 0.37
NAAA Q02083 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
FASN P49327 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
HTR2C P28335 1/20 0.32
TDP2 O95551 1/20 0.32
PTGS2 P35354 3/20 0.32
CD274 Q9NZQ7 1/20 0.32
PTGS1 P23219 2/20 0.32
FAAH O00519 1/20 0.32
PRKCZ Q05513 1/20 0.32
PIK3CA P42336 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
SCHEMBL6459455 1.00 MGLL (0.39) MGLLKDM1ANAAACNR1CNR2
SCHEMBL6450920 1.00 MGLL (0.39) MGLLKDM1ANAAACNR1CNR2
SCHEMBL6450915 1.00 MGLL (0.39) MGLLKDM1ANAAACNR1CNR2
SCHEMBL6459360 0.99 KDM1A (0.38) MGLLKDM1ANAAAFASNGRIN1
SCHEMBL6459363 0.99 KDM1A (0.38) MGLLKDM1ANAAAFASNGRIN1
SCHEMBL6459828 0.96 KDM1A (0.39) MGLLKDM1ANAAAFASNGRIN1
SCHEMBL6459824 0.96 KDM1A (0.39) MGLLKDM1ANAAAFASNGRIN1
SCHEMBL6454444 0.92 KDM1A (0.40) MGLLKDM1ANAAAFASNGRIN1
SCHEMBL6454438 0.92 KDM1A (0.40) MGLLKDM1ANAAAFASNGRIN1
SCHEMBL6457472 0.91 MGLL (0.33) MGLLFASN

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
US-6913797-B1 Decahydronaphthalene derivative DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-07-05 US disclosed
EP-1108700-A1 DECAHYDRONAPHTHALENE DERIVATIVE DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-06-20 EP disclosed