SCHEMBL7722876

SCHEMBL7722876

CCCCc1ccc(C(F)(F)Oc2ccc(CCc3cc(F)c(C(F)(F)F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 2/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 3/20 0.35
DAO P14920 2/20 0.34
THRB P10828 1/20 0.33
PPARD Q03181 1/20 0.32
FFAR1 O14842 1/20 0.32
ALOX5 P09917 1/20 0.32
GPR84 Q9NQS5 2/20 0.32
PSEN1 P49768 1/20 0.32
SKP2 Q13309 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
FAAH O00519 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
SCHEMBL7733198 0.96 THRB (0.37) S1PR1S1PR3PPARGPPARADAO
SCHEMBL7722745 0.93 DAO (0.36) PPARGPPARADAOTHRBFFAR1
SCHEMBL7729745 0.92 KIF11 (0.39) S1PR1S1PR3PPARGPPARAFFAR1
SCHEMBL7734812 0.91 DAO (0.34) S1PR1S1PR3PPARGPPARADAO
SCHEMBL7735124 0.90 S1PR1 (0.37) S1PR1S1PR3PPARGPPARADAO
SCHEMBL7735067 0.90 DAO (0.36) S1PR1S1PR3PPARGPPARADAO
SCHEMBL7731540 0.90 S1PR1 (0.32) S1PR1S1PR3PPARGPPARADAO
SCHEMBL15317521 0.89 DAO (0.33) S1PR1S1PR3PPARGPPARADAO
SCHEMBL7731389 0.89 DAO (0.36) DAOFFAR1GPR84
SCHEMBL7722731 0.88 RARB (0.41) S1PR1PPARGPPARATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed