SCHEMBL14907467

SCHEMBL14907467

C=CC(=O)OCCCCCCOc1ccc(/C=C/c2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
THRB P10828 1/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
MMP3 P08254 5/20 0.48
PPARA Q07869 1/20 0.46
ALB P02768 1/20 0.45
MAPT P10636 1/20 0.45
MMP2 P08253 6/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HPGD P15428 1/20 0.42
HDAC3 O15379 1/20 0.41
STAT3 P40763 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL2241855 0.92 THRB (0.56) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL12704454 0.92 HDAC2 (0.46) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL13368843 0.92 HDAC2 (0.46) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL16133510 0.92 HDAC2 (0.46) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL13697348 0.91 TSHR (0.59) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL8939366 0.90 HDAC1 (0.59) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL8939373 0.90 HDAC1 (0.59) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL103263 0.90 HDAC1 (0.59) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL8939360 0.90 HDAC1 (0.59) HDAC1HDAC2THRBALDH1A1TSHR
SCHEMBL7590582 0.90 HDAC1 (0.59) HDAC1HDAC2THRBALDH1A1TSHR

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