SCHEMBL5068469

SCHEMBL5068469

CCCCC[C@H]1CC[C@H](c2ccc(C(F)(F)Oc3ccc([C@H]4CC[C@H](CCC)CC4)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SPHK1 Q9NYA1 3/20 0.36
ESR2 Q92731 1/20 0.35
CNR2 P34972 6/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL5068471 1.00 MAPT (0.45) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL18961308 0.94 MAPT (0.40) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7731537 0.94 MAPT (0.39) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7731541 0.94 MAPT (0.39) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7729755 0.94 HTR2C (0.40) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7729750 0.94 HTR2C (0.40) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7736228 0.93 SPHK1 (0.43) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7736224 0.93 SPHK1 (0.43) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7734943 0.93 MAPT (0.38) MAPTALDH1A1LMNACYP2C9MEN1
SCHEMBL7729561 0.93 HTR2C (0.40) MAPTALDH1A1LMNACYP2C9MEN1

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-1043299-B1 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORP (JP) 2008-10-15 EP disclosed
EP-0916639-B1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORP (JP) 2002-06-12 EP disclosed
US-6319570-B1 LIQUID CRYSTALS AND VISUAL AIDS FILM TRANSISTOR (TFT) DISPLAY MODE DEVELOP PREFERABLE PHYSICAL PROPERTIES CHISSO CORPORATION (JP) 2001-11-20 US disclosed
US-6190576-B1 MIXTURES CHISSO CORPORATION (JP) 2001-02-20 US disclosed
EP-1043299-A2 Liquid crystalline compound, liquid crystal composition comprising the liquid crystalline compound, and liquid crystal display device using the liquid crystal composition CHISSO CORPORATION (JP) 2000-10-11 EP disclosed
EP-0916639-A1 LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL COMPOSITIONS CONTAINING THE COMPOUNDS, AND LIQUID CRYSTAL DISPLAY DEVICES MADE BY USING THE COMPOSITIONS CHISSO CORPORATION (JP) 1999-05-19 EP disclosed