SCHEMBL7733412

SCHEMBL7733412

CCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(OC(F)(F)F)cc3)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 2/20 0.32
SCN9A Q15858 1/20 0.31
LIPE Q05469 2/20 0.31
MMP12 P39900 1/20 0.31
TSHR P16473 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL7733405 1.00 KDM1A (0.36) KDM1ARCOR1HDAC3HDAC1HDAC2
SCHEMBL8472877 0.98 KDM1A (0.35) KDM1ARCOR1HDAC3HDAC1HDAC2
SCHEMBL7732533 0.97 KDM1A (0.36) KDM1ARCOR1HDAC3HDAC1HDAC2
SCHEMBL7732537 0.97 KDM1A (0.36) KDM1ARCOR1HDAC3HDAC1HDAC2
SCHEMBL7730589 0.96 KDM1A (0.35) KDM1ARCOR1HDAC3HDAC1HDAC2
SCHEMBL7731513 0.96 KDM1A (0.35) KDM1ARCOR1HDAC3HDAC1HDAC2
SCHEMBL7730581 0.96 KDM1A (0.35) KDM1ARCOR1HDAC3HDAC1HDAC2
SCHEMBL7732572 0.96 KDM1A (0.35) KDM1ARCOR1HDAC3HDAC1HDAC2
SCHEMBL7732565 0.96 KDM1A (0.35) KDM1ARCOR1HDAC3HDAC1HDAC2
SCHEMBL8476484 0.96 KDM1A (0.35) KDM1ARCOR1HDAC3HDAC1HDAC2

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