SCHEMBL4552185

SCHEMBL4552185

CCCOc1cc(OCCC)c(-c2cc(F)c(C(F)(F)Oc3cc(F)c(C#N)c(F)c3)c(F)c2)c(OCCC)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MGAT2 Q10469 2/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL4422884 0.89 FFAR1 (0.32) FFAR1
SCHEMBL4415939 0.89 FFAR1 (0.32) FFAR1
SCHEMBL13673199 0.84 ERN1 (0.33) FFAR1
SCHEMBL13865611 0.83 RARA (0.32)
SCHEMBL4413888 0.83 RARA (0.33) FFAR1
SCHEMBL4421577 0.81 PLA2G2A (0.33)
SCHEMBL4413674 0.81 CYP1A1 (0.40) FFAR1
SCHEMBL18965020 0.80 FFAR1 (0.32) FFAR1
SCHEMBL13865551 0.80 FFAR1 (0.34) FFAR1
SCHEMBL30933437 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658351-B1 MESOGENIC COMPOUNDS, MEDIUM FOR ELECTRO-OPTICAL DISPLAYS AND ELECTRO-OPTICAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-28 EP disclosed
EP-1658351-B1 MESOGENIC COMPOUNDS, MEDIUM FOR ELECTRO-OPTICAL DISPLAYS AND ELECTRO-OPTICAL DISPLAY MERCK PATENT GMBH (DE) 2009-10-28 EP disclosed
US-7531106-B2 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2009-05-12 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