SCHEMBL6459068

SCHEMBL6459068

CCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.41
KDM1A O60341 2/20 0.38
CYP17A1 P05093 1/20 0.37
NAAA Q02083 10/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
TDP2 O95551 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL6459071 1.00 MGLL (0.41) MGLLKDM1ACYP17A1NAAAGRIN1
SCHEMBL6453305 1.00 MGLL (0.41) MGLLKDM1ACYP17A1NAAAGRIN1
SCHEMBL6453307 1.00 MGLL (0.41) MGLLKDM1ACYP17A1NAAAGRIN1
SCHEMBL6452256 0.99 MGLL (0.40) MGLLKDM1ACYP17A1NAAAGRIN1
SCHEMBL6452262 0.99 MGLL (0.40) MGLLKDM1ACYP17A1NAAAGRIN1
SCHEMBL6456093 0.96 MGLL (0.40) MGLLKDM1ACYP17A1NAAAGRIN1
SCHEMBL6456089 0.96 MGLL (0.40) MGLLKDM1ACYP17A1NAAAGRIN1
SCHEMBL6454237 0.91 KDM1A (0.40) MGLLKDM1ACYP17A1NAAAGRIN1
SCHEMBL6454232 0.91 KDM1A (0.40) MGLLKDM1ACYP17A1NAAAGRIN1
SCHEMBL6457817 0.90 CTSK (0.36) MGLLNAAA

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