SCHEMBL15744486

SCHEMBL15744486

CCCCC1CCC(COc2cc(F)c(-c3ccc(C(F)(F)OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.35
DGAT1 O75907 2/20 0.35
MAOB P27338 2/20 0.35
SCN9A Q15858 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PSEN1 P49768 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PARP10 Q53GL7 2/20 0.32
PARP15 Q460N3 1/20 0.32
DUT P33316 1/20 0.31
PDE4A P27815 3/20 0.31
PDE4D Q08499 3/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
SSTR5 P35346 1/20 0.31
KCNH2 Q12809 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
SCHEMBL15744491 0.82 MAPT (0.34) DGAT1
SCHEMBL9111322 0.76 PARP10 (0.38) SCN9APARP10PARP15PDE4APDE4D
SCHEMBL9111321 0.76 PARP10 (0.38) SCN9APARP10PARP15PDE4APDE4D
SCHEMBL15172774 0.76 DGAT1 (0.34) KDM1ADGAT1SCN9APTGESALOX5
SCHEMBL15744472 0.75
SCHEMBL9221785 0.74 PARP10 (0.45) SCN9AFFAR4PARP10PARP15KCNH2
SCHEMBL9221776 0.74 PARP10 (0.45) SCN9AFFAR4PARP10PARP15KCNH2
SCHEMBL13002731 0.74 FFAR4 (0.32) KDM1ADGAT1SCN9AFFAR4PARP10
SCHEMBL9111393 0.73 PARP10 (0.36) SCN9APARP10PARP15PDE4APDE4D
SCHEMBL9111398 0.73 PARP10 (0.36) SCN9APARP10PARP15PDE4APDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
EP-2735599-A1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC Corporation (JP) 2014-05-28 EP disclosed