SCHEMBL7734941

SCHEMBL7734941

CCCCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(C(F)(F)Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
CYP2C9 P11712 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SPHK1 Q9NYA1 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ESR2 Q92731 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7734947 1.00 MAPT (0.38) MAPTALDH1A1LMNAKDM1ARCOR1
SCHEMBL7734943 1.00 MAPT (0.38) MAPTALDH1A1LMNAKDM1ARCOR1
SCHEMBL7731541 0.99 MAPT (0.39) MAPTALDH1A1LMNAKDM1ARCOR1
SCHEMBL7731537 0.99 MAPT (0.39) MAPTALDH1A1LMNAKDM1ARCOR1
SCHEMBL7729715 0.96 ALDH1A1 (0.39) MAPTALDH1A1LMNAKDM1ARCOR1
SCHEMBL7729713 0.96 ALDH1A1 (0.39) MAPTALDH1A1LMNAKDM1ARCOR1
SCHEMBL7729719 0.96 ALDH1A1 (0.39) MAPTALDH1A1LMNAKDM1ARCOR1
SCHEMBL7732674 0.95 MAPT (0.37) MAPTALDH1A1LMNAKDM1ARCOR1
SCHEMBL7732671 0.95 MAPT (0.37) MAPTALDH1A1LMNAKDM1ARCOR1
SCHEMBL7732666 0.95 MAPT (0.37) MAPTALDH1A1LMNAKDM1ARCOR1

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