SCHEMBL6453765

SCHEMBL6453765

CCC[C@@H]1CC[C@@H]2C[C@H](c3cc(F)c(OC(F)F)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 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
SCHEMBL6453769 1.00 CYP2C9 (0.30) CYP2C9
SCHEMBL6463338 0.94 TLR4 (0.33) CYP2C9
SCHEMBL6463340 0.94 TLR4 (0.33) CYP2C9
SCHEMBL6457938 0.89 CYP2C9 (0.34) CYP2C9
SCHEMBL6457933 0.89 CYP2C9 (0.34) CYP2C9
SCHEMBL8101057 0.89 CYP2C9 (0.37) CYP2C9
SCHEMBL7510008 0.89 CYP2C9 (0.37) CYP2C9
SCHEMBL8101051 0.89 CYP2C9 (0.37) CYP2C9
SCHEMBL6457451 0.88 FASN (0.32) CYP2C9
SCHEMBL6457447 0.88 FASN (0.32) CYP2C9

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