SCHEMBL7729985

SCHEMBL7729985

CCCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
FFAR1 O14842 1/20 0.36
MAOB P27338 2/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
PSMB5 P28074 1/20 0.35
SLC7A5 Q01650 2/20 0.34
DAO P14920 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CHRNA7 P36544 1/20 0.32
PPARA Q07869 2/20 0.32
PPARD Q03181 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
SCHEMBL7729765 0.99 KIF11 (0.38) KIF11FFAR1MAOBCYP11B1CYP11B2
SCHEMBL7722922 0.94 DAO (0.41) KIF11FFAR1MAOBCYP11B1CYP11B2
SCHEMBL7735307 0.92 PSEN1 (0.36) KIF11FFAR1MAOBCYP11B1CYP11B2
SCHEMBL7732595 0.91 KIF11 (0.50) KIF11FFAR1MAOBCYP11B1CYP11B2
SCHEMBL7732585 0.91 HTR2A (0.37) KIF11FFAR1SLC7A5PPARA
SCHEMBL7732149 0.91 PSEN1 (0.37) KIF11FFAR1MAOBCYP11B1CYP11B2
SCHEMBL7730566 0.90 HTR2A (0.38) KIF11FFAR1SLC7A5PPARA
SCHEMBL17365959 0.90 KIF11 (0.40) KIF11FFAR1MAOBCYP11B1CYP11B2
SCHEMBL7729630 0.89 KIF11 (0.39) KIF11FFAR1CYP11B1CYP11B2SLC7A5
SCHEMBL7733788 0.88 KIF11 (0.40) KIF11FFAR1CYP11B1CYP11B2SLC7A5

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