SCHEMBL8747869

SCHEMBL8747869

CCCCCC1CCC(CCC2CCC(CCc3cc(F)c(OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
S1PR3 Q99500 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CNR2 P34972 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CNR1 P21554 1/20 0.30
CYP1A2 P05177 2/20 0.30
TRPV1 Q8NER1 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
SCHEMBL8747877 0.99 CYP3A4 (0.33) MEN1KMT2ACYP3A4CYP2C8CYP2D6
SCHEMBL8748053 0.99 CYP3A4 (0.33) MEN1KMT2ACYP3A4CYP2C8CYP2D6
SCHEMBL8747992 0.96 CYP1A2 (0.34) KMT2ACHRM2CHRM5CHRM1CHRM3
SCHEMBL8747891 0.91 CHRM2 (0.32) CHRM2CHRM5CHRM1CHRM3HRH3
SCHEMBL7735000 0.89
SCHEMBL7735002 0.89
SCHEMBL8768494 0.88 PDGFRB (0.35) CHRM2CHRM5CHRM1CHRM3
SCHEMBL8768487 0.88 PDGFRB (0.35) CHRM2CHRM5CHRM1CHRM3
SCHEMBL8451751 0.87 PPARG (0.30)
SCHEMBL8095326 0.85 CHRM2 (0.32) CHRM2CHRM5CHRM1CHRM3

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-0761799-A1 Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device Chisso Corporation (JP) 1997-03-12 EP disclosed