SCHEMBL6459828

SCHEMBL6459828

CCCCC1CCC2CC(c3ccc(-c4ccc(OC)c(F)c4)c(F)c3)CCC2C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.39
MGLL Q99685 4/20 0.37
NAAA Q02083 2/20 0.34
PTGS2 P35354 3/20 0.33
FASN P49327 1/20 0.33
HTR2C P28335 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TDP2 O95551 1/20 0.33
PTGS1 P23219 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
FAAH O00519 1/20 0.32
PRKCZ Q05513 1/20 0.32

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
SCHEMBL6459824 1.00 KDM1A (0.39) KDM1AMGLLNAAAPTGS2FASN
SCHEMBL6459360 0.97 KDM1A (0.38) KDM1AMGLLNAAAPTGS2FASN
SCHEMBL6459363 0.97 KDM1A (0.38) KDM1AMGLLNAAAPTGS2FASN
SCHEMBL6450915 0.96 MGLL (0.39) KDM1AMGLLNAAAPTGS2FASN
SCHEMBL6459463 0.96 MGLL (0.39) KDM1AMGLLNAAAPTGS2FASN
SCHEMBL6450920 0.96 MGLL (0.39) KDM1AMGLLNAAAPTGS2FASN
SCHEMBL6459455 0.96 MGLL (0.39) KDM1AMGLLNAAAPTGS2FASN
SCHEMBL6454444 0.94 KDM1A (0.40) KDM1AMGLLNAAAPTGS2FASN
SCHEMBL6454438 0.94 KDM1A (0.40) KDM1AMGLLNAAAPTGS2FASN
SCHEMBL6456082 0.91 CTSK (0.35) KDM1ANAAAFASN

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