SCHEMBL6450752

SCHEMBL6450752

CCCCCC1CC[C@@H]2C[C@H](c3ccc(-c4cc(F)c(OC(F)F)c(F)c4)cc3)CC[C@@H]2C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 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
SCHEMBL6450753 1.00 ESR2 (0.31) ESR2
SCHEMBL6457589 0.99 GAA (0.31) ESR2
SCHEMBL6453449 0.99 GAA (0.31) ESR2
SCHEMBL6453445 0.99 GAA (0.31) ESR2
SCHEMBL6457591 0.99 GAA (0.31) ESR2
SCHEMBL6456609 0.97 ESR2 (0.33) ESR2
SCHEMBL6456606 0.97 ESR2 (0.33) ESR2
SCHEMBL6457938 0.93 CYP2C9 (0.34)
SCHEMBL6457933 0.93 CYP2C9 (0.34)
SCHEMBL6452933 0.89 FASN (0.31)

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