SCHEMBL5067004

SCHEMBL5067004

CCC[C@H]1CC[C@H](C2CCC(C(F)(F)Oc3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.32
TLR4 O00206 1/20 0.30
HCRTR1 O43613 3/20 0.30
HCRTR2 O43614 3/20 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
SCHEMBL5067011 1.00 KDM1A (0.32) KDM1ATLR4HCRTR1HCRTR2
SCHEMBL17615964 0.96 KDM1A (0.33) KDM1AHCRTR1HCRTR2
SCHEMBL12834381 0.92
SCHEMBL13328637 0.91 ALOX5 (0.32)
SCHEMBL20110105 0.91 KDM1A (0.32) KDM1AHCRTR1HCRTR2
SCHEMBL17615963 0.90 ALDH1A1 (0.33) TLR4
SCHEMBL12834695 0.90 VEGFA (0.32)
SCHEMBL20115672 0.87 ALDH1A1 (0.36) KDM1AHCRTR1HCRTR2
SCHEMBL10020169 0.86 HCRTR1 (0.31) HCRTR1HCRTR2
SCHEMBL13025659 0.85 VEGFA (0.34) HCRTR1HCRTR2

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