SCHEMBL7735381

SCHEMBL7735381

CCCCCc1ccc(C(F)(F)Oc2ccc(-c3ccc(C(F)(F)F)c(F)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.47
RARB P10826 4/20 0.46
RARA P10276 1/20 0.46
RARG P13631 1/20 0.46
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
HSD11B1 P28845 1/20 0.39

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
SCHEMBL7722564 0.97 KIF11 (0.48) KIF11RARBRARARARGCYP11B1
SCHEMBL12623101 0.95 KIF11 (0.43) KIF11RARBRARARARGCYP11B1
SCHEMBL7732595 0.92 KIF11 (0.50) KIF11RARBRARARARGCYP11B1
SCHEMBL7732585 0.92 HTR2A (0.37) KIF11RARBRARARARGHSD11B1
SCHEMBL12625662 0.91 KIF11 (0.44) KIF11RARBRARARARGCYP11B1
SCHEMBL7735591 0.91 DAO (0.39) KIF11RARBRARARARGHSD11B1
SCHEMBL7730566 0.91 HTR2A (0.38) KIF11RARBRARARARGHSD11B1
SCHEMBL14226659 0.89 RARB (0.43) KIF11RARBRARARARGCYP11B1
SCHEMBL7735269 0.88 RARB (0.45) RARBRARARARGHSD11B1
SCHEMBL7735307 0.88 PSEN1 (0.36) KIF11CYP11B1CYP11B2HSD11B1

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