SCHEMBL7732669

SCHEMBL7732669

CCCCc1ccc(C(F)(F)Oc2ccc(-c3cc(F)c(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
KIF11 P52732 4/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
PRMT6 Q96LA8 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
SKP2 Q13309 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31

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
SCHEMBL7733175 0.96 RARB (0.42) RARBRARARARGKIF11CYP11B1
SCHEMBL14226660 0.95 RARB (0.39) RARBRARARARGKIF11CYP11B1
SCHEMBL7732570 0.93 KIF11 (0.39) RARBRARARARGKIF11CYP11B1
SCHEMBL12623708 0.92 RARB (0.47) RARBRARARARGKIF11CYP11B1
SCHEMBL7729745 0.92 KIF11 (0.39) RARBRARARARGKIF11CYP11B1
SCHEMBL12622965 0.90 RARB (0.43) RARBRARARARGKIF11CYP11B1
SCHEMBL7735124 0.90 S1PR1 (0.37) RARBRARARARGS1PR1S1PR3
SCHEMBL7729149 0.90 RARB (0.36) RARBRARARARGKIF11CYP11B1
SCHEMBL7722692 0.89 SKP2 (0.35) S1PR1S1PR3PPARGPPARASKP2
SCHEMBL7722731 0.88 RARB (0.41) RARBRARARARGKIF11CYP11B1

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