SCHEMBL14907459

SCHEMBL14907459

C=CC(=O)OCCCOc1ccc(C(=O)OC2CCC(C3CCC(CCCCC)CC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
PLA2G4B P0C869 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 2/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
THRA P10827 1/20 0.37
NAAA Q02083 1/20 0.37

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
SCHEMBL16425378 0.98 TSHR (0.41) TSHRHPGDPLA2G4BPTPN2PTPN6
SCHEMBL12567819 0.97 TSHR (0.41) TSHRHPGDPLA2G4BPTPN2THRB
SCHEMBL10534921 0.96 THRB (0.42) TSHRHPGDPTPN2HRH2HRH1
SCHEMBL14907456 0.94 PTPN2 (0.42) TSHRHPGDPTPN2PTPN6PTPN11
SCHEMBL16133502 0.94 PTPN2 (0.42) TSHRHPGDPTPN2PTPN6PTPN11
SCHEMBL14255568 0.94 TSHR (0.44) TSHRHPGDPLA2G4BPTPN2THRB
SCHEMBL18328875 0.94 TSHR (0.44) TSHRHPGDPLA2G4BPTPN2THRB
SCHEMBL16425384 0.92 PTPN2 (0.41) TSHRHPGDPTPN2PTPN6PTPN11
SCHEMBL12087289 0.91 PTPN2 (0.43) TSHRHPGDPTPN2PTPN6PTPN11
SCHEMBL12567693 0.91 ALDH1A1 (0.37) TSHRHPGDHRH2HRH1THRB

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