SCHEMBL6453000

SCHEMBL6453000

CCCCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4ccc(OC(F)(F)C(F)F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MGLL Q99685 3/20 0.30
FASN P49327 1/20 0.30

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
SCHEMBL6453003 1.00 GAA (0.31) GAAMAPTMGLLFASN
SCHEMBL6456582 1.00 GAA (0.31) GAAMAPTMGLLFASN
SCHEMBL6456577 1.00 GAA (0.31) GAAMAPTMGLLFASN
SCHEMBL6451010 0.99 FASN (0.30) FASN
SCHEMBL6451016 0.99 FASN (0.30) FASN
SCHEMBL6460159 0.97 FASN (0.31) FASN
SCHEMBL6460156 0.97 FASN (0.31) FASN
SCHEMBL6456423 0.93 FASN (0.31) FASN
SCHEMBL6456418 0.93 FASN (0.31) FASN
SCHEMBL6450785 0.92 CTSK (0.34) GAAMAPTMGLLFASN

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