SCHEMBL91849

SCHEMBL91849

CCCOc1cc(C)c(-c2cc(F)c(CF)c(F)c2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.41
KAT6A Q92794 1/20 0.33
ELANE P08246 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL91829 0.85 ADORA3 (0.33) FFAR1ELANE
SCHEMBL13863873 0.79 FFAR4 (0.32) ELANE
SCHEMBL13863902 0.78 RARB (0.36)
SCHEMBL91939 0.78 FFAR4 (0.33) THRATHRB
SCHEMBL13863807 0.78 RARA (0.38) ELANE
SCHEMBL91837 0.76 FFAR4 (0.39) FFAR1PTGS1PTGS2
SCHEMBL91912 0.75 PLA2G2A (0.39) THRATHRB
SCHEMBL13863876 0.75 PLA2G2A (0.39) THRATHRB
SCHEMBL13863811 0.75 PLA2G2A (0.39) THRATHRB
SCHEMBL91918 0.75 FFAR1 (0.39) FFAR1KAT6AELANE

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-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 US disclosed