SCHEMBL14907452

SCHEMBL14907452

C=CC(=O)OCCCCc1ccc(OC(=O)c2ccc(-c3ccc(CCCCOC(=O)C=C)cc3F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.47
THRB P10828 5/20 0.45
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
THRA P10827 2/20 0.34

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
SCHEMBL14907460 0.91 RARB (0.45) RARBTHRBALDH1A1CYP3A4TSHR
SCHEMBL14907469 0.87 THRB (0.50) RARBTHRBS1PR1S1PR3ALDH1A1
SCHEMBL22451142 0.85 THRB (0.57) THRBMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL14907523 0.85 THRB (0.44) RARBTHRBS1PR1S1PR3ALDH1A1
SCHEMBL803177 0.84 THRB (0.49) RARBTHRBS1PR1S1PR3ALDH1A1
SCHEMBL14907448 0.84 THRB (0.56) THRBMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3437310 0.83 CA12 (0.44) RARBTHRBMAPTSMN1; SMN2S1PR1
SCHEMBL17773133 0.82 THRB (0.56) THRBMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL12933641 0.82 THRB (0.49) RARBTHRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL18540273 0.82 RARB (0.42) RARBTHRBMAPTSMN1; SMN2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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