SCHEMBL7729630

SCHEMBL7729630

CCc1ccc(C(F)(F)Oc2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.39
FFAR1 O14842 1/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
SLC7A5 Q01650 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
TSHR P16473 1/20 0.34
PDE2A O00408 1/20 0.34
CHRNA7 P36544 1/20 0.33
DAO P14920 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
CHRM5 P08912 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
EPHX1 P07099 1/20 0.33
CCR6 P51684 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
SCHEMBL7733788 0.99 KIF11 (0.40) KIF11FFAR1CYP11B1CYP11B2SLC7A5
SCHEMBL7728951 0.91 KIF11 (0.52) KIF11FFAR1CYP11B1CYP11B2
SCHEMBL7731827 0.91 DAO (0.41) KIF11FFAR1CYP11B1CYP11B2TRPM8
SCHEMBL7729985 0.89 KIF11 (0.38) KIF11FFAR1CYP11B1CYP11B2SLC7A5
SCHEMBL7729765 0.88 KIF11 (0.38) KIF11FFAR1CYP11B1CYP11B2SLC7A5
SCHEMBL7735307 0.87 PSEN1 (0.36) KIF11FFAR1CYP11B1CYP11B2SLC7A5
SCHEMBL7732585 0.86 HTR2A (0.37) KIF11FFAR1SLC7A5
SCHEMBL7732149 0.85 PSEN1 (0.37) KIF11FFAR1CYP11B1CYP11B2SLC7A5
SCHEMBL7730683 0.84 TSHR (0.35) KIF11TSHRPDE2ACHRM5EPHX2
SCHEMBL7730566 0.84 HTR2A (0.38) KIF11FFAR1SLC7A5CHRM5

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