SCHEMBL7732643

SCHEMBL7732643

CCCCC1CCC(C2CCC(c3ccc(C(F)(F)Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
CYP2C9 P11712 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LIPE Q05469 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
RAB9A P51151 1/20 0.33
ESR2 Q92731 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7732638 1.00 ALDH1A1 (0.38) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL7732650 1.00 ALDH1A1 (0.38) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL7732666 0.97 MAPT (0.37) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL7732671 0.97 MAPT (0.37) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL7732674 0.97 MAPT (0.37) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL7734961 0.96 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL7734966 0.96 ALDH1A1 (0.40) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL7729719 0.95 ALDH1A1 (0.39) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL7729715 0.95 ALDH1A1 (0.39) ALDH1A1LMNAMAPTKDM1ARCOR1
SCHEMBL7729713 0.95 ALDH1A1 (0.39) ALDH1A1LMNAMAPTKDM1ARCOR1

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-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 EP disclosed