SCHEMBL7730689

SCHEMBL7730689

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KDM1A O60341 1/20 0.33
CYP2C9 P11712 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
CNR2 P34972 4/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC7A5 Q01650 2/20 0.31
GAA P10253 1/20 0.30
HTR2C P28335 1/20 0.30
KIF11 P52732 1/20 0.30
RAB9A P51151 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
SCHEMBL7730695 1.00 MAPT (0.34) MAPTALDH1A1LMNAKDM1ACYP2C9
SCHEMBL7730489 0.97 ALDH1A1 (0.33) MAPTALDH1A1LMNAKDM1ACYP2C9
SCHEMBL7730480 0.97 ALDH1A1 (0.33) MAPTALDH1A1LMNAKDM1ACYP2C9
SCHEMBL7730474 0.97 ALDH1A1 (0.33) MAPTALDH1A1LMNAKDM1ACYP2C9
SCHEMBL7731207 0.97 ALDH1A1 (0.35) MAPTALDH1A1LMNAKDM1ACYP2C9
SCHEMBL7731204 0.97 ALDH1A1 (0.35) MAPTALDH1A1LMNAKDM1ACYP2C9
SCHEMBL7722931 0.94 ALDH1A1 (0.33) MAPTALDH1A1LMNAKDM1ACYP2C9
SCHEMBL7722929 0.94 ALDH1A1 (0.33) MAPTALDH1A1LMNAKDM1ACYP2C9
SCHEMBL7722924 0.94 ALDH1A1 (0.33) MAPTALDH1A1LMNAKDM1ACYP2C9
SCHEMBL7729967 0.93 ALDH1A1 (0.41) MAPTALDH1A1LMNAKDM1ACYP2C9

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 6 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-0786508-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2001-01-17 EP disclosed
US-5858270-A Difluorooxymethane derivative and liquid crystal composition CHISSO CORPORATION (JP) 1999-01-12 US disclosed
US-5728319-A Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 1998-03-17 US disclosed
EP-0786445-A1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-07-30 EP disclosed
EP-0786508-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 1997-07-30 EP disclosed