SCHEMBL7729079

SCHEMBL7729079

CCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(C(F)(F)F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.43
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
PRMT6 Q96LA8 1/20 0.36
FFAR1 O14842 1/20 0.34
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
SERPINE1 P05121 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
SCHEMBL7731319 0.91 KIF11 (0.40) KIF11CYP11B1CYP11B2PRMT6FFAR1
SCHEMBL7728933 0.90 KIF11 (0.41) KIF11CYP11B1CYP11B2PRMT6FFAR1
SCHEMBL7731389 0.90 DAO (0.36) KIF11FFAR1
SCHEMBL7730346 0.89 KIF11 (0.34) KIF11CYP11B1CYP11B2FFAR1
SCHEMBL7729745 0.88 KIF11 (0.39) KIF11CYP11B1CYP11B2FFAR1PPARA
SCHEMBL7734971 0.88 PRMT6 (0.39) KIF11CYP11B1CYP11B2PRMT6FFAR1
SCHEMBL7730994 0.88 FFAR1 (0.33) KIF11FFAR1
SCHEMBL7722731 0.87 RARB (0.41) KIF11CYP11B1CYP11B2PPARAPPARG
SCHEMBL7732093 0.87 PRMT6 (0.36) KIF11CYP11B1CYP11B2PRMT6PPARA
SCHEMBL14749512 0.86 TSHR (0.38) KIF11PRMT6FFAR1

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