SCHEMBL6461275

SCHEMBL6461275

CCCC1CC[C@@H]2C[C@H](c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)CC[C@@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
TLR4 O00206 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
SCHEMBL6461278 1.00 CYP2C9 (0.31) CYP2C9TLR4
SCHEMBL6460289 0.93
SCHEMBL6460296 0.93
SCHEMBL12032034 0.92 CYP2C9 (0.33) CYP2C9
SCHEMBL6454556 0.92 CYP2C9 (0.35) CYP2C9TLR4
SCHEMBL6454553 0.92 CYP2C9 (0.35) CYP2C9TLR4
SCHEMBL6460414 0.92 CYP2C9 (0.35) CYP2C9TLR4
SCHEMBL6451748 0.92 MEN1 (0.32)
SCHEMBL6451754 0.92 MEN1 (0.32)
SCHEMBL6461002 0.91 GAA (0.32)

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