SCHEMBL4421577

SCHEMBL4421577

CCCCCCOc1cc(OCCCCCC)c(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)c(OCCCCCC)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.33
THRB P10828 6/20 0.33
THRA P10827 5/20 0.33
PDK2 Q15119 1/20 0.31
PLA2G2D Q9UNK4 1/20 0.31
TSHR P16473 1/20 0.31
NR5A1 Q13285 1/20 0.31
BLM P54132 1/20 0.30
FAAH O00519 6/20 0.30
S1PR4 O95977 2/20 0.30
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
S1PR5 Q9H228 2/20 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
SCHEMBL4413888 0.95 RARA (0.33)
SCHEMBL4415939 0.92 FFAR1 (0.32)
SCHEMBL13865611 0.89 RARA (0.32)
SCHEMBL13865551 0.87 FFAR1 (0.34)
SCHEMBL4422884 0.85 FFAR1 (0.32)
SCHEMBL13865605 0.84 ALDH1A1 (0.30)
SCHEMBL18965020 0.83 FFAR1 (0.32)
SCHEMBL13808398 0.83 HDAC1 (0.30)
SCHEMBL13808402 0.83 HDAC1 (0.30)
SCHEMBL14456310 0.82 PTPN11 (0.36) THRBTHRAPDK2PLA2G2DS1PR4

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-20060286308-A1 Mesogenic compounds, medium for electro-optical displays and electro-optical display MERCK PATENT GMBH (DE) 2006-12-21 US disclosed