SCHEMBL7729149

SCHEMBL7729149

CCCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(OC(F)(F)F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
RARA P10276 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
RARG P13631 1/20 0.36
KIF11 P52732 1/20 0.35
PRMT6 Q96LA8 1/20 0.34
PCSK9 Q8NBP7 1/20 0.33
PPARG P37231 2/20 0.32
ALOX5 P09917 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
PPARA Q07869 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32

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
SCHEMBL7735516 0.97 RARB (0.40) RARBRARACYP11B1CYP11B2RARG
SCHEMBL7730937 0.93 CYP11B1 (0.37) CYP11B1CYP11B2KIF11PRMT6PPARA
SCHEMBL12623057 0.91 RARB (0.41) RARBRARACYP11B1CYP11B2RARG
SCHEMBL7732511 0.91 PPARG (0.35) PCSK9PPARGALOX5S1PR1S1PR3
SCHEMBL7732669 0.90 RARB (0.38) RARBRARACYP11B1CYP11B2RARG
SCHEMBL7731549 0.90 PCSK9 (0.34) KIF11PCSK9PPARGALOX5S1PR1
SCHEMBL12623052 0.89 RARB (0.39) RARBRARACYP11B1CYP11B2RARG
SCHEMBL7729745 0.89 KIF11 (0.39) RARBRARACYP11B1CYP11B2RARG
SCHEMBL7734971 0.89 PRMT6 (0.39) CYP11B1CYP11B2KIF11PRMT6PPARA
SCHEMBL7731609 0.88 RARB (0.34) RARBRARACYP11B1CYP11B2RARG

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed