SCHEMBL7731207

SCHEMBL7731207

CCCCC1CCC(c2ccc(C(F)(F)Oc3ccc(C(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 2/20 0.32
CNR2 P34972 2/20 0.32
SLC7A5 Q01650 2/20 0.32
SPHK1 Q9NYA1 1/20 0.31
HTR2C P28335 1/20 0.31
KIF11 P52732 1/20 0.31
RAB9A P51151 1/20 0.31
PDE2A O00408 1/20 0.31
CHRNA7 P36544 1/20 0.30
IDO1 P14902 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
SCHEMBL7731204 1.00 ALDH1A1 (0.35) ALDH1A1LMNAMAPTKDM1ACYP2C9
SCHEMBL7722931 0.97 ALDH1A1 (0.33) ALDH1A1LMNAMAPTKDM1ACYP2C9
SCHEMBL7722924 0.97 ALDH1A1 (0.33) ALDH1A1LMNAMAPTKDM1ACYP2C9
SCHEMBL7722929 0.97 ALDH1A1 (0.33) ALDH1A1LMNAMAPTKDM1ACYP2C9
SCHEMBL7730695 0.97 MAPT (0.34) ALDH1A1LMNAMAPTKDM1ACYP2C9
SCHEMBL7730689 0.97 MAPT (0.34) ALDH1A1LMNAMAPTKDM1ACYP2C9
SCHEMBL12032100 0.95 KDM1A (0.34) ALDH1A1LMNAMAPTKDM1ADPP4
SCHEMBL18032281 0.94 ALDH1A1 (0.32) ALDH1A1LMNAMAPTKDM1ACYP2C9
SCHEMBL7730489 0.94 ALDH1A1 (0.33) ALDH1A1LMNAMAPTKDM1ACYP2C9
SCHEMBL7730480 0.94 ALDH1A1 (0.33) ALDH1A1LMNAMAPTKDM1ACYP2C9

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