SCHEMBL8961904

SCHEMBL8961904

CCCCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(CCC)c(F)c5F)cc4)c(F)c3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8962063 0.99 GAA (0.35) GAAMAPTCTSLCTSSCTSK
SCHEMBL8934910 0.97 GAA (0.35) GAAMAPTCTSLCTSSCTSK
SCHEMBL8961874 0.96 GAA (0.33) GAAMAPTMEN1KMT2A
SCHEMBL8961914 0.96 GAA (0.33) GAAMAPTMEN1KMT2A
SCHEMBL8935005 0.96 GAA (0.36) GAAMAPTCTSLCTSSCTSK
SCHEMBL8962188 0.95 MAPT (0.35) GAAMAPTMEN1KMT2A
SCHEMBL8962103 0.95 MAPT (0.35) GAAMAPTMEN1KMT2A
SCHEMBL8961896 0.95 MAPT (0.35) GAAMAPTMEN1KMT2A
SCHEMBL8961887 0.95 MAPT (0.35) GAAMAPTMEN1KMT2A
SCHEMBL8962072 0.95 GAA (0.35) GAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP disclosed