SCHEMBL6453055

SCHEMBL6453055

CCCCCCC1CCC2CC(c3ccc(-c4ccc(OC(F)(F)C(F)F)cc4)c(F)c3)CCC2C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
FASN P49327 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RORC P51449 3/20 0.32
RORA P35398 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
CETP P11597 1/20 0.30
RARB P10826 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
SCHEMBL6452201 1.00 SCN9A (0.33) SCN9AFASNGAAMAPTRORC
SCHEMBL6452205 1.00 SCN9A (0.33) SCN9AFASNGAAMAPTRORC
SCHEMBL6453047 1.00 SCN9A (0.33) SCN9AFASNGAAMAPTRORC
SCHEMBL6464455 0.99 SCN9A (0.34) SCN9AFASNGAAMAPTRORC
SCHEMBL6464452 0.99 SCN9A (0.34) SCN9AFASNGAAMAPTRORC
SCHEMBL6454324 0.96 SCN9A (0.34) SCN9AFASNRORCCETP
SCHEMBL6454325 0.96 SCN9A (0.34) SCN9AFASNRORCCETP
SCHEMBL6459183 0.93 SCN9A (0.35) SCN9AFASNCETP
SCHEMBL6459185 0.93 SCN9A (0.35) SCN9AFASNCETP
SCHEMBL6453639 0.92 GRM2 (0.36) SCN9AFASNGAAMAPTRORC

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