SCHEMBL14907460

SCHEMBL14907460

C=CC(=O)OCCCCc1ccc(OC(=O)c2ccc(-c3ccc(CCCCOC(=O)C=C)cc3F)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.45
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 2/20 0.36
KDM1A O60341 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
RORC P51449 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL14907452 0.91 RARB (0.47) RARBCYP3A4ALDH1A1TSHRTHRB
SCHEMBL15582439 0.87 THRB (0.48) RARBALDH1A1TSHRTHRBMEN1
SCHEMBL14907436 0.84 THRB (0.47) RARBCYP3A4THRBMEN1KMT2A
SCHEMBL14907438 0.84 THRB (0.47) RARBCYP3A4THRBMEN1KMT2A
SCHEMBL14907469 0.82 THRB (0.50) RARBCYP3A4ALDH1A1TSHRTHRB
SCHEMBL19757202 0.81 RARB (0.45) RARBTHRBMEN1KMT2A
SCHEMBL14907523 0.81 THRB (0.44) RARBCYP3A4ALDH1A1TSHRTHRB
SCHEMBL19757208 0.81 RARB (0.44) RARBCYP3A4THRBMEN1KMT2A
SCHEMBL14907500 0.80 THRB (0.46) CYP3A4TSHRTHRB
SCHEMBL18194800 0.79 RARB (0.44) RARBCYP3A4ALDH1A1TSHRTHRB

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-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-9507185-B2 Switch element comprising a liquid crystalline medium MERCK PATENT GMBH (DE) 2016-11-29 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
US-20140293174-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2014-10-02 US disclosed
WO-2013060406-A1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-05-02 WO disclosed