SCHEMBL9190072

SCHEMBL9190072

CCCCCC[C@H]1CC[C@H](COc2ccc(OC(F)(F)F)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
PPARD Q03181 7/20 0.39
FFAR1 O14842 6/20 0.39
PARP10 Q53GL7 3/20 0.39
PARP15 Q460N3 2/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
PSEN1 P49768 1/20 0.38
MCHR1 Q99705 1/20 0.38
SLC7A5 Q01650 1/20 0.37
PDK2 Q15119 1/20 0.37
BRD4 O60885 1/20 0.36
EPHX2 P34913 2/20 0.35
PPARA Q07869 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35

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
SCHEMBL9184418 1.00 SCN9A (0.40) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9190078 1.00 SCN9A (0.40) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9186609 1.00 SCN9A (0.40) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9184429 1.00 SCN9A (0.40) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9186603 1.00 SCN9A (0.40) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL7913376 0.99 SCN9A (0.41) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL7913377 0.99 SCN9A (0.41) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9188430 0.97 SCN9A (0.38) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9188436 0.97 SCN9A (0.38) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9189936 0.97 SCN9A (0.38) SCN9APPARDFFAR1PARP10PARP15

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
EP-0423520-B1 Liquid crystalline composition for the use in a twisted nematic cell MERCK PATENT GMBH (DE) 1995-08-02 EP disclosed
EP-0423520-A2 Liquid crystalline composition for the use in a twisted nematic cell MERCK PATENT GmbH (DE) 1991-04-24 EP disclosed