SCHEMBL7728951

SCHEMBL7728951

CCc1ccc(C(F)(F)Oc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.52
CYP11B2 P19099 5/20 0.48
CYP11B1 P15538 3/20 0.48
FFAR1 O14842 2/20 0.37

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
SCHEMBL7729630 0.91 KIF11 (0.39) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL7732595 0.90 KIF11 (0.50) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL7733788 0.89 KIF11 (0.40) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL7722564 0.88 KIF11 (0.48) KIF11CYP11B2CYP11B1
SCHEMBL7731827 0.87 DAO (0.41) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL7735381 0.87 KIF11 (0.47) KIF11CYP11B2CYP11B1
SCHEMBL7722571 0.87 PPARD (0.39) KIF11CYP11B2CYP11B1
SCHEMBL13002525 0.85 KIF11 (0.70) KIF11CYP11B2CYP11B1FFAR1
SCHEMBL7722866 0.84 SERPINE1 (0.39) KIF11
SCHEMBL12623101 0.82 KIF11 (0.43) KIF11CYP11B2CYP11B1

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