SCHEMBL7730726

SCHEMBL7730726

CCCCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(OC(F)F)c(F)c3)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.38
RARA P10276 2/20 0.38
RARG P13631 1/20 0.38
S1PR1 P21453 1/20 0.33
KIF11 P52732 1/20 0.33
PPARG P37231 4/20 0.32
PPARA Q07869 4/20 0.32
BACE1 P56817 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL7731609 0.97 RARB (0.34) RARBRARARARGS1PR1KIF11
SCHEMBL7729923 0.93 KIF11 (0.34) KIF11CYP11B1CYP11B2
SCHEMBL7731573 0.92 S1PR1 (0.34) RARBRARARARGS1PR1PPARG
SCHEMBL7731891 0.91 PPARG (0.35) RARBRARARARGS1PR1PPARG
SCHEMBL7729898 0.89 S1PR1 (0.32) S1PR1PPARGPPARABACE1
SCHEMBL7735352 0.89 CETP (0.34) S1PR1PPARGPPARABACE1
SCHEMBL7735516 0.89 RARB (0.40) RARBRARARARGS1PR1KIF11
SCHEMBL7723050 0.88 KIF11 (0.36) KIF11CYP11B1CYP11B2
SCHEMBL7731179 0.88 RARB (0.41) RARBRARARARGPPARGPPARA
SCHEMBL7722884 0.88 RARB (0.37) RARBRARARARGS1PR1PPARG

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